REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1hbu_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADKLFINALK KKFEESPEEK KTTFYTLGGW KQSERKTEFV NAGKEVAAKR DATA SEQUENCE GIPQYNPDIG TPLGQRVLMP YQVSTTDTYV EGDDLHFVNN AAMQQMWDDI DATA SEQUENCE RRTVIVGLNH AHAVIEKRLG KEVTPETITH YLETVNHAMP GAAVVQEHMV DATA SEQUENCE ETHPALVADS YVKVFTGNDE IADEIDPAFV IDINKQFPED QAETLKAEVG DATA SEQUENCE DGIWQVVRIP TIVSRTCDGA TTSRWSAMQI GMSMISAYKQ AAGEAATGDF DATA SEQUENCE AYAAKXAEVI HMGTYLPVRX ARGENEPGGV PFGYLADICQ SSRVNYEDPV DATA SEQUENCE RVSLDVVATG AMLYDQIWLG SYMSGGVGFT QYATAAYTDN ILDDFTYFGK DATA SEQUENCE EYVEDKYGLC EAPNNMDTVL DVATEVTFYG LEQYEEYPAL LEDQFGGSXR DATA SEQUENCE AAVVAAAAGC STAFATGNAQ TGLSGWYLSM YLHKEQHSRL GFYXYDLQDQ DATA SEQUENCE XGASNVFSIR GDEGLPLELR GPNYPNYAMN VGHQGEYAGI SQAPHAARGD DATA SEQUENCE AFVFNPLVKI AFADDNLVFD FTNVRGEFAK GALREFEPAG ERALITPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 3 D N 2.707 123.082 120.400 -0.041 0.000 2.515 3 D HA 0.259 4.913 4.640 0.024 0.000 0.232 3 D C 0.084 176.285 176.300 -0.164 0.000 1.157 3 D CA 0.416 54.362 54.000 -0.090 0.000 0.871 3 D CB 0.456 41.196 40.800 -0.099 0.000 1.200 3 D HN 0.212 nan 8.370 nan 0.000 0.466 4 K N 1.804 122.020 120.400 -0.307 0.000 2.344 4 K HA 0.048 4.383 4.320 0.024 0.000 0.260 4 K C 1.392 177.656 176.600 -0.560 0.000 0.988 4 K CA -0.141 55.828 56.287 -0.531 0.000 0.909 4 K CB 0.279 32.047 32.500 -1.220 0.000 0.968 4 K HN 0.385 nan 8.250 nan 0.000 0.505 5 L N 0.939 121.916 121.223 -0.411 0.000 2.313 5 L HA -0.070 4.284 4.340 0.024 0.000 0.214 5 L C 1.732 178.525 176.870 -0.127 0.000 1.119 5 L CA 0.762 55.496 54.840 -0.178 0.000 0.809 5 L CB -0.365 41.686 42.059 -0.014 0.000 0.933 5 L HN 0.556 nan 8.230 nan 0.000 0.449 6 F N -2.203 117.720 119.950 -0.044 0.000 2.797 6 F HA 0.139 4.680 4.527 0.023 0.000 0.302 6 F C 1.958 177.718 175.800 -0.067 0.000 1.130 6 F CA -0.211 57.752 58.000 -0.062 0.000 1.387 6 F CB -0.795 38.139 39.000 -0.110 0.000 1.107 6 F HN -0.146 nan 8.300 nan 0.000 0.577 7 I N 1.513 121.986 120.570 -0.161 0.000 2.179 7 I HA -0.256 3.929 4.170 0.024 0.000 0.242 7 I C 1.915 178.059 176.117 0.045 0.000 1.088 7 I CA 1.078 62.345 61.300 -0.056 0.000 1.357 7 I CB -1.285 36.620 38.000 -0.158 0.000 1.051 7 I HN 0.235 nan 8.210 nan 0.000 0.409 8 N N 1.507 120.231 118.700 0.041 0.000 2.094 8 N HA -0.171 4.584 4.740 0.024 0.000 0.191 8 N C 1.917 177.521 175.510 0.157 0.000 1.023 8 N CA 1.859 54.962 53.050 0.089 0.000 0.857 8 N CB -0.335 38.217 38.487 0.108 0.000 1.013 8 N HN 0.402 nan 8.380 nan 0.000 0.426 9 A N 1.072 124.019 122.820 0.211 0.000 1.930 9 A HA -0.014 4.320 4.320 0.024 0.000 0.217 9 A C 2.411 180.087 177.584 0.153 0.000 1.175 9 A CA 0.813 53.018 52.037 0.279 0.000 0.627 9 A CB -0.591 18.535 19.000 0.209 0.000 0.815 9 A HN 0.208 nan 8.150 nan 0.000 0.443 10 L N -0.842 120.470 121.223 0.148 0.000 2.093 10 L HA -0.158 4.196 4.340 0.024 0.000 0.208 10 L C 2.544 179.478 176.870 0.107 0.000 1.085 10 L CA 1.449 56.377 54.840 0.147 0.000 0.755 10 L CB -0.482 41.722 42.059 0.243 0.000 0.904 10 L HN 0.353 nan 8.230 nan 0.000 0.435 11 K N 0.345 120.799 120.400 0.089 0.000 2.057 11 K HA -0.234 4.100 4.320 0.024 0.000 0.207 11 K C 2.161 178.741 176.600 -0.034 0.000 1.049 11 K CA 1.348 57.665 56.287 0.050 0.000 0.931 11 K CB -0.096 32.425 32.500 0.036 0.000 0.714 11 K HN -0.031 nan 8.250 nan 0.000 0.440 12 K N 1.882 122.223 120.400 -0.098 0.000 2.147 12 K HA -0.124 4.211 4.320 0.024 0.000 0.205 12 K C 1.516 177.968 176.600 -0.247 0.000 1.049 12 K CA 1.562 57.708 56.287 -0.235 0.000 0.936 12 K CB 0.103 32.308 32.500 -0.493 0.000 0.722 12 K HN 0.020 nan 8.250 nan 0.000 0.446 13 K N -1.246 118.967 120.400 -0.312 0.000 2.116 13 K HA 0.058 4.392 4.320 0.024 0.000 0.203 13 K C -0.074 176.137 176.600 -0.649 0.000 1.052 13 K CA 0.713 56.621 56.287 -0.631 0.000 0.952 13 K CB 0.103 31.852 32.500 -1.251 0.000 0.729 13 K HN 0.012 nan 8.250 nan 0.000 0.446 14 F N -0.062 119.871 119.950 -0.029 0.000 2.577 14 F HA 0.160 4.701 4.527 0.024 0.000 0.318 14 F C 0.943 176.721 175.800 -0.037 0.000 1.065 14 F CA -1.134 56.846 58.000 -0.033 0.000 0.929 14 F CB 1.897 40.886 39.000 -0.018 0.000 1.237 14 F HN -0.126 nan 8.300 nan 0.000 0.468 15 E N -0.006 120.291 120.200 0.161 0.000 2.152 15 E HA -0.073 4.292 4.350 0.024 0.000 0.192 15 E C -0.313 176.321 176.600 0.057 0.000 0.983 15 E CA 0.699 57.137 56.400 0.064 0.000 0.818 15 E CB -0.105 29.607 29.700 0.021 0.000 0.758 15 E HN 0.502 nan 8.360 nan 0.000 0.467 16 E N 1.523 121.761 120.200 0.063 0.000 2.398 16 E HA 0.121 4.486 4.350 0.024 0.000 0.263 16 E C -0.365 176.282 176.600 0.078 0.000 1.046 16 E CA -0.114 56.306 56.400 0.032 0.000 0.908 16 E CB 0.919 30.599 29.700 -0.032 0.000 0.963 16 E HN -0.097 nan 8.360 nan 0.000 0.431 17 S N 2.525 118.261 115.700 0.060 0.000 2.566 17 S HA 0.008 4.492 4.470 0.024 0.000 0.280 17 S C -1.500 173.176 174.600 0.126 0.000 1.343 17 S CA -1.201 57.053 58.200 0.091 0.000 1.036 17 S CB 0.369 63.611 63.200 0.070 0.000 0.866 17 S HN 0.381 nan 8.310 nan 0.000 0.526 18 P HA -0.011 nan 4.420 nan 0.000 0.223 18 P C 0.438 177.910 177.300 0.288 0.000 1.151 18 P CA 0.861 64.130 63.100 0.281 0.000 0.787 18 P CB 0.050 31.963 31.700 0.356 0.000 0.788 19 E N -0.168 120.159 120.200 0.211 0.000 2.358 19 E HA -0.054 4.311 4.350 0.024 0.000 0.195 19 E C 0.515 177.116 176.600 0.002 0.000 1.010 19 E CA 0.396 56.826 56.400 0.050 0.000 0.856 19 E CB -0.480 29.213 29.700 -0.012 0.000 0.795 19 E HN 0.487 nan 8.360 nan 0.000 0.504 20 E N 0.884 121.089 120.200 0.008 0.000 2.383 20 E HA 0.065 4.429 4.350 0.024 0.000 0.264 20 E C 0.407 176.974 176.600 -0.056 0.000 1.050 20 E CA 0.103 56.484 56.400 -0.032 0.000 0.896 20 E CB 0.761 30.436 29.700 -0.041 0.000 0.982 20 E HN 0.049 nan 8.360 nan 0.000 0.424 21 K N 1.404 121.767 120.400 -0.061 0.000 2.361 21 K HA 0.095 4.429 4.320 0.024 0.000 0.194 21 K C 0.075 176.628 176.600 -0.077 0.000 1.032 21 K CA 0.460 56.710 56.287 -0.062 0.000 1.048 21 K CB 0.461 32.932 32.500 -0.048 0.000 0.842 21 K HN 0.245 nan 8.250 nan 0.000 0.526 22 K N -0.063 120.277 120.400 -0.101 0.000 2.395 22 K HA 0.347 4.681 4.320 0.024 0.000 0.247 22 K C -0.546 175.924 176.600 -0.215 0.000 0.973 22 K CA -0.482 55.727 56.287 -0.130 0.000 0.828 22 K CB 2.425 34.867 32.500 -0.097 0.000 1.272 22 K HN -0.195 nan 8.250 nan 0.000 0.439 23 T N -0.601 113.750 114.554 -0.337 0.000 2.647 23 T HA 0.406 4.771 4.350 0.024 0.000 0.295 23 T C -1.333 173.007 174.700 -0.599 0.000 1.126 23 T CA -0.412 61.407 62.100 -0.469 0.000 1.040 23 T CB 1.741 70.251 68.868 -0.597 0.000 1.472 23 T HN 0.450 nan 8.240 nan 0.000 0.500 24 T N 1.593 115.776 114.554 -0.619 0.000 2.829 24 T HA 0.743 5.108 4.350 0.024 0.000 0.280 24 T C -1.184 173.101 174.700 -0.690 0.000 0.999 24 T CA -0.216 61.570 62.100 -0.522 0.000 0.983 24 T CB 0.418 69.138 68.868 -0.246 0.000 0.968 24 T HN 0.379 nan 8.240 nan 0.000 0.446 25 F N 0.259 120.021 119.950 -0.312 0.000 2.712 25 F HA 0.453 4.995 4.527 0.024 0.000 0.367 25 F C 0.575 176.097 175.800 -0.463 0.000 1.132 25 F CA -1.152 56.508 58.000 -0.565 0.000 1.066 25 F CB 0.865 39.140 39.000 -1.209 0.000 1.416 25 F HN 0.719 nan 8.300 nan 0.000 0.515 26 Y N -1.814 118.610 120.300 0.207 0.000 4.522 26 Y HA -0.331 4.233 4.550 0.024 0.000 0.299 26 Y C 1.232 177.156 175.900 0.040 0.000 1.035 26 Y CA 0.917 59.072 58.100 0.091 0.000 2.036 26 Y CB -2.240 36.261 38.460 0.069 0.000 1.132 26 Y HN 0.564 nan 8.280 nan 0.000 0.471 27 T N -2.466 112.158 114.554 0.117 0.000 3.293 27 T HA 0.549 4.913 4.350 0.024 0.000 0.276 27 T C 0.578 175.284 174.700 0.010 0.000 1.003 27 T CA -0.109 62.026 62.100 0.059 0.000 0.916 27 T CB -0.407 68.488 68.868 0.046 0.000 1.134 27 T HN 0.407 nan 8.240 nan 0.000 0.530 28 L N 0.056 121.283 121.223 0.008 0.000 2.616 28 L HA 0.521 4.876 4.340 0.024 0.000 0.229 28 L C 1.902 178.743 176.870 -0.047 0.000 1.110 28 L CA 0.185 55.014 54.840 -0.017 0.000 0.884 28 L CB -0.120 41.936 42.059 -0.004 0.000 1.115 28 L HN 0.582 nan 8.230 nan 0.000 0.481 29 G N -0.326 108.436 108.800 -0.063 0.000 2.163 29 G HA2 -0.067 3.907 3.960 0.024 0.000 0.213 29 G HA3 -0.067 3.907 3.960 0.024 0.000 0.213 29 G C 0.745 175.521 174.900 -0.206 0.000 0.991 29 G CA -0.149 44.864 45.100 -0.145 0.000 0.653 29 G HN 0.712 nan 8.290 nan 0.000 0.518 30 G N 0.379 109.124 108.800 -0.091 0.000 2.550 30 G HA2 -0.259 3.716 3.960 0.024 0.000 0.277 30 G HA3 -0.259 3.716 3.960 0.024 0.000 0.277 30 G C 1.324 176.219 174.900 -0.009 0.000 1.190 30 G CA 1.574 46.647 45.100 -0.045 0.000 0.971 30 G HN 1.694 nan 8.290 nan 0.000 0.559 31 W N 0.892 122.214 121.300 0.037 0.000 2.421 31 W HA 0.057 4.731 4.660 0.024 0.000 0.270 31 W C 1.753 178.285 176.519 0.022 0.000 1.233 31 W CA 1.293 58.661 57.345 0.038 0.000 1.226 31 W CB -0.628 28.874 29.460 0.069 0.000 1.121 31 W HN 0.516 nan 8.180 nan 0.000 0.579 32 K N 1.441 121.562 120.400 -0.465 0.000 2.442 32 K HA -0.175 4.160 4.320 0.024 0.000 0.198 32 K C 2.224 178.743 176.600 -0.135 0.000 1.042 32 K CA 1.584 57.619 56.287 -0.420 0.000 0.958 32 K CB -0.256 31.830 32.500 -0.690 0.000 0.766 32 K HN 0.429 nan 8.250 nan 0.000 0.474 33 Q N 0.365 120.119 119.800 -0.076 0.000 2.436 33 Q HA -0.022 4.332 4.340 0.024 0.000 0.209 33 Q C 0.523 176.523 176.000 0.000 0.000 0.965 33 Q CA 0.672 56.455 55.803 -0.033 0.000 0.910 33 Q CB 0.183 28.909 28.738 -0.020 0.000 0.980 33 Q HN -0.051 nan 8.270 nan 0.000 0.491 34 S N 0.059 115.784 115.700 0.042 0.000 2.456 34 S HA 0.107 4.591 4.470 0.024 0.000 0.316 34 S C 0.497 175.114 174.600 0.029 0.000 1.089 34 S CA -0.707 57.512 58.200 0.030 0.000 1.101 34 S CB 1.696 64.923 63.200 0.045 0.000 0.995 34 S HN 0.445 nan 8.310 nan 0.000 0.468 35 E N 3.919 124.116 120.200 -0.005 0.000 2.070 35 E HA -0.259 4.105 4.350 0.024 0.000 0.197 35 E C 1.865 178.419 176.600 -0.077 0.000 1.004 35 E CA 1.361 57.752 56.400 -0.015 0.000 0.805 35 E CB -0.110 29.579 29.700 -0.018 0.000 0.744 35 E HN 0.672 nan 8.360 nan 0.000 0.451 36 R N 0.680 121.083 120.500 -0.162 0.000 2.075 36 R HA -0.075 4.279 4.340 0.024 0.000 0.232 36 R C 2.180 178.091 176.300 -0.648 0.000 1.126 36 R CA 1.592 57.449 56.100 -0.406 0.000 0.963 36 R CB -0.022 30.031 30.300 -0.412 0.000 0.858 36 R HN 0.040 nan 8.270 nan 0.000 0.435 37 K N -0.479 119.716 120.400 -0.342 0.000 2.148 37 K HA -0.036 4.299 4.320 0.024 0.000 0.204 37 K C 1.963 178.530 176.600 -0.054 0.000 1.050 37 K CA 1.746 57.911 56.287 -0.202 0.000 0.942 37 K CB -0.427 32.146 32.500 0.122 0.000 0.724 37 K HN 0.260 nan 8.250 nan 0.000 0.446 38 T N 1.521 116.133 114.554 0.097 0.000 2.708 38 T HA -0.163 4.201 4.350 0.024 0.000 0.266 38 T C 1.809 176.524 174.700 0.027 0.000 1.037 38 T CA 1.368 63.581 62.100 0.189 0.000 1.146 38 T CB -0.099 68.919 68.868 0.251 0.000 0.865 38 T HN 0.400 nan 8.240 nan 0.000 0.435 39 E N 0.383 120.566 120.200 -0.029 0.000 2.097 39 E HA -0.156 4.209 4.350 0.024 0.000 0.196 39 E C 1.889 178.530 176.600 0.069 0.000 1.000 39 E CA 1.268 57.672 56.400 0.005 0.000 0.804 39 E CB -0.245 29.447 29.700 -0.012 0.000 0.740 39 E HN 0.647 nan 8.360 nan 0.000 0.454 40 F N 0.035 119.826 119.950 -0.265 0.000 2.146 40 F HA -0.186 4.355 4.527 0.024 0.000 0.298 40 F C 2.493 177.956 175.800 -0.563 0.000 1.096 40 F CA 0.287 57.954 58.000 -0.555 0.000 1.275 40 F CB -0.114 38.346 39.000 -0.900 0.000 1.008 40 F HN -0.026 nan 8.300 nan 0.000 0.480 41 V N 0.584 120.383 119.914 -0.192 0.000 2.287 41 V HA -0.334 3.800 4.120 0.024 0.000 0.248 41 V C 1.951 177.989 176.094 -0.093 0.000 1.053 41 V CA 1.955 64.147 62.300 -0.181 0.000 1.027 41 V CB -0.711 30.739 31.823 -0.620 0.000 0.646 41 V HN 0.345 nan 8.190 nan 0.000 0.447 42 N N 0.590 119.252 118.700 -0.063 0.000 2.084 42 N HA -0.135 4.619 4.740 0.024 0.000 0.190 42 N C 1.904 177.399 175.510 -0.025 0.000 1.030 42 N CA 1.790 54.831 53.050 -0.016 0.000 0.849 42 N CB -0.606 37.889 38.487 0.013 0.000 1.012 42 N HN 0.502 nan 8.380 nan 0.000 0.423 43 A N 0.692 123.484 122.820 -0.047 0.000 1.902 43 A HA -0.002 4.333 4.320 0.024 0.000 0.217 43 A C 2.409 179.948 177.584 -0.075 0.000 1.181 43 A CA 1.930 53.926 52.037 -0.069 0.000 0.623 43 A CB -1.246 17.692 19.000 -0.104 0.000 0.818 43 A HN 0.360 nan 8.150 nan 0.000 0.443 44 G N -0.284 108.467 108.800 -0.080 0.000 2.442 44 G HA2 -0.256 3.718 3.960 0.024 0.000 0.219 44 G HA3 -0.256 3.718 3.960 0.024 0.000 0.219 44 G C 1.683 176.587 174.900 0.008 0.000 1.141 44 G CA 1.204 46.305 45.100 0.002 0.000 0.763 44 G HN 0.594 nan 8.290 nan 0.000 0.554 45 K N 0.346 120.748 120.400 0.002 0.000 2.057 45 K HA -0.029 4.306 4.320 0.024 0.000 0.206 45 K C 2.487 179.085 176.600 -0.003 0.000 1.050 45 K CA 1.310 57.599 56.287 0.003 0.000 0.935 45 K CB -0.130 32.374 32.500 0.007 0.000 0.715 45 K HN 0.410 nan 8.250 nan 0.000 0.439 46 E N 0.530 120.724 120.200 -0.009 0.000 2.051 46 E HA -0.167 4.198 4.350 0.024 0.000 0.192 46 E C 2.115 178.705 176.600 -0.015 0.000 0.991 46 E CA 1.263 57.657 56.400 -0.010 0.000 0.799 46 E CB -0.142 29.551 29.700 -0.013 0.000 0.748 46 E HN 0.007 nan 8.360 nan 0.000 0.449 47 V N 1.707 121.606 119.914 -0.025 0.000 2.255 47 V HA -0.322 3.812 4.120 0.024 0.000 0.247 47 V C 2.414 178.496 176.094 -0.019 0.000 1.051 47 V CA 2.032 64.315 62.300 -0.029 0.000 1.018 47 V CB -0.833 30.963 31.823 -0.045 0.000 0.641 47 V HN 0.353 nan 8.190 nan 0.000 0.445 48 A N -0.269 122.544 122.820 -0.012 0.000 1.940 48 A HA -0.156 4.178 4.320 0.024 0.000 0.219 48 A C 2.387 179.967 177.584 -0.007 0.000 1.176 48 A CA 2.311 54.343 52.037 -0.008 0.000 0.631 48 A CB -0.745 18.253 19.000 -0.003 0.000 0.814 48 A HN 0.606 nan 8.150 nan 0.000 0.446 49 A N -0.370 122.447 122.820 -0.005 0.000 1.897 49 A HA -0.109 4.225 4.320 0.024 0.000 0.215 49 A C 2.120 179.701 177.584 -0.004 0.000 1.181 49 A CA 1.848 53.884 52.037 -0.003 0.000 0.620 49 A CB -0.458 18.541 19.000 -0.000 0.000 0.821 49 A HN 0.548 nan 8.150 nan 0.000 0.443 50 K N 0.185 120.581 120.400 -0.007 0.000 2.074 50 K HA -0.213 4.122 4.320 0.024 0.000 0.209 50 K C 2.136 178.731 176.600 -0.008 0.000 1.048 50 K CA 1.880 58.162 56.287 -0.008 0.000 0.926 50 K CB -0.158 32.336 32.500 -0.011 0.000 0.713 50 K HN 0.612 nan 8.250 nan 0.000 0.444 51 R N -1.236 119.258 120.500 -0.010 0.000 2.308 51 R HA 0.111 4.466 4.340 0.024 0.000 0.202 51 R C 0.803 177.099 176.300 -0.008 0.000 0.898 51 R CA 0.808 56.903 56.100 -0.010 0.000 1.046 51 R CB 0.346 30.637 30.300 -0.014 0.000 1.026 51 R HN 0.269 nan 8.270 nan 0.000 0.512 52 G N 1.756 110.552 108.800 -0.007 0.000 2.147 52 G HA2 -0.213 3.762 3.960 0.024 0.000 0.244 52 G HA3 -0.213 3.762 3.960 0.024 0.000 0.244 52 G C -0.148 174.748 174.900 -0.007 0.000 1.005 52 G CA 0.489 45.586 45.100 -0.005 0.000 0.713 52 G HN 0.372 nan 8.290 nan 0.000 0.515 53 I N 0.026 120.590 120.570 -0.009 0.000 2.571 53 I HA 0.311 4.495 4.170 0.024 0.000 0.289 53 I C -2.391 173.719 176.117 -0.011 0.000 1.115 53 I CA -2.559 58.735 61.300 -0.010 0.000 1.045 53 I CB 2.520 40.513 38.000 -0.012 0.000 1.238 53 I HN -0.203 nan 8.210 nan 0.000 0.424 54 P HA 0.021 nan 4.420 nan 0.000 0.265 54 P C -0.640 176.651 177.300 -0.015 0.000 1.187 54 P CA 0.317 63.409 63.100 -0.013 0.000 0.766 54 P CB 1.073 32.763 31.700 -0.017 0.000 0.820 55 Q N 2.216 122.010 119.800 -0.010 0.000 2.942 55 Q HA 0.171 4.525 4.340 0.024 0.000 0.278 55 Q C -0.718 175.293 176.000 0.018 0.000 1.046 55 Q CA -0.481 55.322 55.803 -0.001 0.000 0.578 55 Q CB 0.246 28.985 28.738 0.002 0.000 4.423 55 Q HN 0.306 nan 8.270 nan 0.000 0.274 56 Y N 2.675 122.919 120.300 -0.094 0.000 2.526 56 Y HA 0.211 4.776 4.550 0.024 0.000 0.330 56 Y C -0.754 175.084 175.900 -0.104 0.000 1.156 56 Y CA 0.684 58.721 58.100 -0.104 0.000 1.419 56 Y CB 0.457 38.840 38.460 -0.129 0.000 1.250 56 Y HN 0.394 nan 8.280 nan 0.000 0.540 57 N N 7.915 126.371 118.700 -0.407 0.000 2.572 57 N HA 0.231 4.986 4.740 0.024 0.000 0.287 57 N C -2.434 172.834 175.510 -0.403 0.000 1.136 57 N CA -1.931 50.962 53.050 -0.262 0.000 0.900 57 N CB 1.776 40.179 38.487 -0.140 0.000 1.484 57 N HN 0.324 nan 8.380 nan 0.000 0.526 58 P HA -0.009 nan 4.420 nan 0.000 0.226 58 P C -0.180 177.062 177.300 -0.095 0.000 1.146 58 P CA 0.974 63.883 63.100 -0.319 0.000 0.773 58 P CB 0.518 31.869 31.700 -0.580 0.000 0.772 59 D N -0.867 119.496 120.400 -0.062 0.000 2.349 59 D HA 0.095 4.749 4.640 0.024 0.000 0.214 59 D C 0.891 177.172 176.300 -0.032 0.000 1.063 59 D CA 0.026 54.026 54.000 0.000 0.000 0.847 59 D CB 0.255 41.071 40.800 0.026 0.000 0.933 59 D HN 0.184 nan 8.370 nan 0.000 0.513 60 I N 0.962 121.483 120.570 -0.083 0.000 2.474 60 I HA 0.231 4.415 4.170 0.024 0.000 0.287 60 I C 1.738 177.817 176.117 -0.064 0.000 1.048 60 I CA 0.433 61.687 61.300 -0.077 0.000 1.383 60 I CB 0.476 38.411 38.000 -0.108 0.000 1.412 60 I HN 0.135 nan 8.210 nan 0.000 0.531 61 G N 5.721 114.497 108.800 -0.039 0.000 2.566 61 G HA2 -0.247 3.728 3.960 0.024 0.000 0.280 61 G HA3 -0.247 3.728 3.960 0.024 0.000 0.280 61 G C 0.129 175.023 174.900 -0.010 0.000 1.225 61 G CA 0.239 45.324 45.100 -0.024 0.000 0.966 61 G HN 0.897 nan 8.290 nan 0.000 0.560 62 T N 0.371 114.923 114.554 -0.003 0.000 2.918 62 T HA 0.660 5.025 4.350 0.024 0.000 0.283 62 T C -2.302 172.415 174.700 0.029 0.000 1.001 62 T CA -0.543 61.563 62.100 0.011 0.000 1.041 62 T CB 2.037 70.910 68.868 0.008 0.000 1.028 62 T HN 0.735 nan 8.240 nan 0.000 0.511 63 P HA 0.353 nan 4.420 nan 0.000 0.283 63 P C -0.187 177.172 177.300 0.099 0.000 1.412 63 P CA -0.558 62.598 63.100 0.093 0.000 0.912 63 P CB 0.230 31.986 31.700 0.093 0.000 1.132 64 L N 2.126 123.420 121.223 0.119 0.000 2.506 64 L HA 0.190 4.545 4.340 0.024 0.000 0.281 64 L C 1.542 178.485 176.870 0.123 0.000 1.228 64 L CA 1.059 55.965 54.840 0.111 0.000 0.850 64 L CB -0.344 41.799 42.059 0.139 0.000 1.110 64 L HN 0.782 nan 8.230 nan 0.000 0.496 65 G N 1.451 110.296 108.800 0.076 0.000 2.171 65 G HA2 -0.198 3.776 3.960 0.024 0.000 0.238 65 G HA3 -0.198 3.776 3.960 0.024 0.000 0.238 65 G C 0.642 175.575 174.900 0.054 0.000 1.039 65 G CA -0.179 44.960 45.100 0.066 0.000 0.759 65 G HN 0.620 nan 8.290 nan 0.000 0.501 66 Q N -0.955 118.873 119.800 0.046 0.000 2.369 66 Q HA 0.035 4.389 4.340 0.024 0.000 0.206 66 Q C 1.708 177.701 176.000 -0.011 0.000 0.963 66 Q CA 1.730 57.568 55.803 0.059 0.000 0.894 66 Q CB 0.087 28.897 28.738 0.120 0.000 0.965 66 Q HN 0.962 nan 8.270 nan 0.000 0.475 67 R N -1.701 118.800 120.500 0.002 0.000 2.923 67 R HA 0.586 4.941 4.340 0.024 0.000 0.252 67 R C -0.409 175.956 176.300 0.107 0.000 1.130 67 R CA -0.899 55.272 56.100 0.118 0.000 1.043 67 R CB 0.245 30.548 30.300 0.005 0.000 1.205 67 R HN -0.294 nan 8.270 nan 0.000 0.495 68 V N 2.109 122.121 119.914 0.164 0.000 2.540 68 V HA 0.042 4.176 4.120 0.024 0.000 0.297 68 V C 0.208 176.350 176.094 0.079 0.000 1.024 68 V CA 0.134 62.516 62.300 0.136 0.000 1.105 68 V CB 0.020 31.993 31.823 0.251 0.000 0.938 68 V HN 0.435 nan 8.190 nan 0.000 0.482 69 L N 7.064 128.305 121.223 0.030 0.000 2.295 69 L HA 0.384 4.739 4.340 0.024 0.000 0.288 69 L C 0.245 177.081 176.870 -0.056 0.000 1.079 69 L CA 0.079 54.923 54.840 0.007 0.000 0.830 69 L CB 0.442 42.520 42.059 0.031 0.000 1.200 69 L HN 0.584 nan 8.230 nan 0.000 0.438 70 M N 5.465 124.983 119.600 -0.136 0.000 2.255 70 M HA 0.357 4.852 4.480 0.024 0.000 0.336 70 M C -2.095 173.999 176.300 -0.343 0.000 1.135 70 M CA -1.661 53.450 55.300 -0.315 0.000 1.145 70 M CB 0.777 33.078 32.600 -0.499 0.000 1.473 70 M HN 0.260 nan 8.290 nan 0.000 0.462 71 P HA 0.170 nan 4.420 nan 0.000 0.277 71 P C -1.801 175.349 177.300 -0.249 0.000 1.240 71 P CA 0.011 63.038 63.100 -0.122 0.000 0.798 71 P CB 0.390 32.093 31.700 0.005 0.000 0.979 72 Y N -0.756 119.598 120.300 0.090 0.000 2.393 72 Y HA 0.320 4.884 4.550 0.024 0.000 0.341 72 Y C 1.051 176.910 175.900 -0.068 0.000 0.988 72 Y CA -0.718 57.405 58.100 0.038 0.000 1.078 72 Y CB 1.997 40.465 38.460 0.013 0.000 1.203 72 Y HN 0.331 nan 8.280 nan 0.000 0.453 73 Q N 2.530 122.263 119.800 -0.113 0.000 2.288 73 Q HA 0.320 4.675 4.340 0.024 0.000 0.258 73 Q C -1.037 174.873 176.000 -0.151 0.000 0.957 73 Q CA -0.475 54.994 55.803 -0.557 0.000 0.919 73 Q CB 0.925 29.236 28.738 -0.712 0.000 1.185 73 Q HN 0.609 nan 8.270 nan 0.000 0.408 74 V N 4.296 124.154 119.914 -0.092 0.000 2.479 74 V HA 0.003 4.137 4.120 0.024 0.000 0.281 74 V C 0.260 176.376 176.094 0.037 0.000 1.031 74 V CA 0.027 62.371 62.300 0.073 0.000 1.038 74 V CB 0.921 32.818 31.823 0.124 0.000 0.981 74 V HN 0.832 nan 8.190 nan 0.000 0.478 75 S N 4.086 119.843 115.700 0.095 0.000 2.558 75 S HA 0.135 4.619 4.470 0.024 0.000 0.287 75 S C 1.334 175.965 174.600 0.052 0.000 1.321 75 S CA 0.670 58.911 58.200 0.069 0.000 1.048 75 S CB 0.387 63.652 63.200 0.109 0.000 0.844 75 S HN 1.509 nan 8.310 nan 0.000 0.512 76 T N -1.788 112.791 114.554 0.042 0.000 6.974 76 T HA -0.259 4.105 4.350 0.024 0.000 0.287 76 T C 0.188 174.893 174.700 0.009 0.000 2.146 76 T CA 1.657 63.776 62.100 0.032 0.000 3.451 76 T CB -2.714 66.175 68.868 0.035 0.000 1.630 76 T HN 1.110 nan 8.240 nan 0.000 1.173 77 T N -2.050 112.500 114.554 -0.006 0.000 2.927 77 T HA 0.661 5.026 4.350 0.024 0.000 0.286 77 T C -0.320 174.365 174.700 -0.025 0.000 1.040 77 T CA -0.296 61.797 62.100 -0.011 0.000 1.010 77 T CB 2.069 70.931 68.868 -0.010 0.000 1.177 77 T HN 0.031 nan 8.240 nan 0.000 0.546 78 D N 0.884 121.289 120.400 0.009 0.000 2.525 78 D HA 0.207 4.862 4.640 0.024 0.000 0.229 78 D C -0.260 176.091 176.300 0.086 0.000 1.202 78 D CA -0.035 54.003 54.000 0.064 0.000 0.828 78 D CB 0.313 41.175 40.800 0.104 0.000 1.008 78 D HN 0.503 nan 8.370 nan 0.000 0.493 79 T N 0.772 115.314 114.554 -0.019 0.000 2.744 79 T HA 0.279 4.644 4.350 0.024 0.000 0.291 79 T C -0.411 174.226 174.700 -0.104 0.000 0.957 79 T CA -0.186 61.931 62.100 0.028 0.000 1.002 79 T CB 0.664 69.558 68.868 0.043 0.000 0.919 79 T HN -0.059 nan 8.240 nan 0.000 0.468 80 Y N 2.407 122.747 120.300 0.066 0.000 2.341 80 Y HA 0.576 5.141 4.550 0.024 0.000 0.338 80 Y C 0.184 176.127 175.900 0.072 0.000 0.965 80 Y CA -0.888 57.252 58.100 0.066 0.000 1.108 80 Y CB 1.475 39.950 38.460 0.025 0.000 1.180 80 Y HN 0.483 nan 8.280 nan 0.000 0.458 81 V N -0.738 119.304 119.914 0.214 0.000 3.114 81 V HA 0.563 4.697 4.120 0.024 0.000 0.308 81 V C -0.507 175.702 176.094 0.192 0.000 1.168 81 V CA -1.506 60.899 62.300 0.174 0.000 1.015 81 V CB 1.901 33.819 31.823 0.157 0.000 1.050 81 V HN 0.690 nan 8.190 nan 0.000 0.433 82 E N 1.367 121.650 120.200 0.138 0.000 2.404 82 E HA 0.280 4.645 4.350 0.024 0.000 0.261 82 E C 1.311 178.059 176.600 0.246 0.000 1.074 82 E CA 0.410 56.896 56.400 0.144 0.000 0.917 82 E CB 1.195 30.927 29.700 0.052 0.000 0.965 82 E HN 1.023 nan 8.360 nan 0.000 0.433 83 G N 2.394 111.407 108.800 0.355 0.000 2.432 83 G HA2 -0.269 3.706 3.960 0.024 0.000 0.219 83 G HA3 -0.269 3.706 3.960 0.024 0.000 0.219 83 G C 0.722 175.752 174.900 0.218 0.000 1.135 83 G CA 0.865 46.173 45.100 0.346 0.000 0.767 83 G HN 0.522 nan 8.290 nan 0.000 0.550 84 D N 1.109 121.633 120.400 0.206 0.000 2.228 84 D HA -0.073 4.581 4.640 0.024 0.000 0.203 84 D C 1.397 177.829 176.300 0.219 0.000 0.988 84 D CA 1.135 55.276 54.000 0.234 0.000 0.864 84 D CB -0.062 40.874 40.800 0.226 0.000 0.928 84 D HN 0.195 nan 8.370 nan 0.000 0.469 85 D N -0.501 120.002 120.400 0.172 0.000 2.363 85 D HA 0.040 4.695 4.640 0.024 0.000 0.226 85 D C 1.336 177.721 176.300 0.142 0.000 1.020 85 D CA 0.316 54.405 54.000 0.149 0.000 0.892 85 D CB 0.175 41.052 40.800 0.130 0.000 0.900 85 D HN 0.292 nan 8.370 nan 0.000 0.531 86 L N -0.451 120.861 121.223 0.149 0.000 2.766 86 L HA 0.098 4.452 4.340 0.024 0.000 0.242 86 L C 0.786 177.724 176.870 0.113 0.000 1.136 86 L CA -0.273 54.637 54.840 0.117 0.000 0.933 86 L CB 0.286 42.415 42.059 0.116 0.000 1.241 86 L HN 0.069 nan 8.230 nan 0.000 0.522 87 H N 0.800 119.905 119.070 0.058 0.000 2.848 87 H HA -0.064 4.507 4.556 0.024 0.000 0.341 87 H C 0.943 176.271 175.328 0.001 0.000 1.060 87 H CA 0.147 56.215 56.048 0.033 0.000 1.444 87 H CB 1.108 30.861 29.762 -0.016 0.000 1.446 87 H HN 0.237 nan 8.280 nan 0.000 0.583 88 F N 3.555 123.530 119.950 0.043 0.000 2.216 88 F HA -0.122 4.420 4.527 0.024 0.000 0.300 88 F C 1.747 177.644 175.800 0.162 0.000 1.085 88 F CA 0.660 58.695 58.000 0.058 0.000 1.326 88 F CB -0.996 38.001 39.000 -0.005 0.000 1.027 88 F HN 0.238 nan 8.300 nan 0.000 0.497 89 V N 1.691 121.235 119.914 -0.617 0.000 2.392 89 V HA -0.293 3.841 4.120 0.024 0.000 0.249 89 V C 1.487 177.472 176.094 -0.181 0.000 1.059 89 V CA 2.178 64.179 62.300 -0.498 0.000 1.051 89 V CB -0.871 30.554 31.823 -0.664 0.000 0.658 89 V HN 0.458 nan 8.190 nan 0.000 0.455 90 N N 0.212 118.862 118.700 -0.082 0.000 2.270 90 N HA 0.055 4.809 4.740 0.024 0.000 0.198 90 N C 0.257 175.797 175.510 0.050 0.000 1.117 90 N CA 0.171 53.215 53.050 -0.010 0.000 0.845 90 N CB -0.020 38.493 38.487 0.043 0.000 0.980 90 N HN 0.404 nan 8.380 nan 0.000 0.486 91 N N 0.468 119.203 118.700 0.058 0.000 2.540 91 N HA 0.286 5.041 4.740 0.024 0.000 0.275 91 N C 0.013 175.552 175.510 0.049 0.000 1.053 91 N CA -0.199 52.887 53.050 0.060 0.000 0.876 91 N CB 1.667 40.180 38.487 0.043 0.000 1.284 91 N HN -0.059 nan 8.380 nan 0.000 0.518 92 A N 3.040 125.895 122.820 0.059 0.000 2.016 92 A HA 0.133 4.467 4.320 0.024 0.000 0.217 92 A C 1.986 179.480 177.584 -0.151 0.000 1.162 92 A CA 1.411 53.495 52.037 0.080 0.000 0.662 92 A CB -0.279 18.855 19.000 0.224 0.000 0.812 92 A HN 0.689 nan 8.150 nan 0.000 0.450 93 A N 0.081 122.622 122.820 -0.464 0.000 1.883 93 A HA -0.178 4.157 4.320 0.024 0.000 0.217 93 A C 2.233 179.690 177.584 -0.212 0.000 1.186 93 A CA 1.906 53.337 52.037 -1.009 0.000 0.624 93 A CB -0.575 18.036 19.000 -0.648 0.000 0.822 93 A HN 0.526 nan 8.150 nan 0.000 0.444 94 M N -1.019 118.542 119.600 -0.065 0.000 2.086 94 M HA -0.248 4.246 4.480 0.024 0.000 0.261 94 M C 2.488 178.811 176.300 0.037 0.000 1.067 94 M CA 1.921 57.189 55.300 -0.053 0.000 1.116 94 M CB -0.533 31.989 32.600 -0.129 0.000 1.348 94 M HN 0.490 nan 8.290 nan 0.000 0.407 95 Q N -0.214 119.654 119.800 0.113 0.000 2.096 95 Q HA -0.266 4.089 4.340 0.024 0.000 0.204 95 Q C 2.117 178.217 176.000 0.166 0.000 0.982 95 Q CA 1.596 57.521 55.803 0.204 0.000 0.850 95 Q CB -0.250 28.622 28.738 0.224 0.000 0.901 95 Q HN 0.404 nan 8.270 nan 0.000 0.422 96 Q N 0.546 120.419 119.800 0.122 0.000 2.167 96 Q HA -0.108 4.246 4.340 0.024 0.000 0.202 96 Q C 1.855 177.934 176.000 0.132 0.000 0.970 96 Q CA 1.277 57.195 55.803 0.192 0.000 0.855 96 Q CB -0.117 28.860 28.738 0.398 0.000 0.911 96 Q HN 0.357 nan 8.270 nan 0.000 0.438 97 M N -1.101 118.443 119.600 -0.093 0.000 2.073 97 M HA -0.219 4.276 4.480 0.024 0.000 0.258 97 M C 1.898 178.223 176.300 0.041 0.000 1.070 97 M CA 2.027 57.046 55.300 -0.469 0.000 1.103 97 M CB -0.524 31.451 32.600 -1.043 0.000 1.321 97 M HN 0.592 nan 8.290 nan 0.000 0.405 98 W N 1.230 122.486 121.300 -0.074 0.000 2.381 98 W HA -0.227 4.447 4.660 0.024 0.000 0.301 98 W C 1.381 177.943 176.519 0.071 0.000 1.205 98 W CA 1.254 58.597 57.345 -0.004 0.000 1.285 98 W CB -0.359 29.101 29.460 -0.000 0.000 1.133 98 W HN 0.274 nan 8.180 nan 0.000 0.521 99 D N 0.953 121.239 120.400 -0.191 0.000 2.123 99 D HA -0.206 4.449 4.640 0.024 0.000 0.196 99 D C 1.497 177.695 176.300 -0.170 0.000 0.992 99 D CA 1.825 55.661 54.000 -0.273 0.000 0.833 99 D CB -0.717 40.048 40.800 -0.059 0.000 0.954 99 D HN 0.153 nan 8.370 nan 0.000 0.455 100 D N 0.023 120.453 120.400 0.050 0.000 2.178 100 D HA -0.062 4.592 4.640 0.024 0.000 0.201 100 D C 2.246 178.663 176.300 0.195 0.000 0.980 100 D CA 0.372 54.493 54.000 0.202 0.000 0.842 100 D CB -0.132 40.974 40.800 0.512 0.000 0.948 100 D HN 0.305 nan 8.370 nan 0.000 0.472 101 I N 0.084 120.722 120.570 0.112 0.000 2.233 101 I HA -0.141 4.043 4.170 0.024 0.000 0.243 101 I C 2.521 178.530 176.117 -0.180 0.000 1.093 101 I CA 0.589 61.924 61.300 0.059 0.000 1.380 101 I CB -0.170 37.873 38.000 0.071 0.000 1.067 101 I HN -0.112 nan 8.210 nan 0.000 0.413 102 R N 1.964 122.070 120.500 -0.657 0.000 2.120 102 R HA -0.148 4.206 4.340 0.024 0.000 0.234 102 R C 2.203 178.323 176.300 -0.300 0.000 1.123 102 R CA 1.302 56.974 56.100 -0.712 0.000 0.975 102 R CB -0.083 29.507 30.300 -1.183 0.000 0.866 102 R HN 0.400 nan 8.270 nan 0.000 0.446 103 R N -0.617 119.730 120.500 -0.255 0.000 2.359 103 R HA 0.136 4.491 4.340 0.024 0.000 0.231 103 R C -0.592 175.616 176.300 -0.152 0.000 0.913 103 R CA 0.129 56.113 56.100 -0.195 0.000 1.075 103 R CB 0.421 30.596 30.300 -0.208 0.000 1.087 103 R HN -0.102 nan 8.270 nan 0.000 0.515 104 T N 1.234 115.727 114.554 -0.102 0.000 2.794 104 T HA 0.431 4.796 4.350 0.024 0.000 0.280 104 T C -1.141 173.531 174.700 -0.046 0.000 0.987 104 T CA -0.471 61.567 62.100 -0.104 0.000 0.993 104 T CB 2.061 70.866 68.868 -0.106 0.000 0.939 104 T HN 0.063 nan 8.240 nan 0.000 0.449 105 V N 4.413 124.284 119.914 -0.071 0.000 3.007 105 V HA 0.659 4.793 4.120 0.024 0.000 0.311 105 V C -1.477 174.590 176.094 -0.044 0.000 1.120 105 V CA -1.070 61.196 62.300 -0.057 0.000 0.980 105 V CB 1.982 33.747 31.823 -0.097 0.000 1.033 105 V HN 0.845 nan 8.190 nan 0.000 0.429 106 I N 5.203 125.761 120.570 -0.020 0.000 2.354 106 I HA 0.625 4.810 4.170 0.024 0.000 0.292 106 I C -0.976 175.205 176.117 0.107 0.000 0.989 106 I CA -0.756 60.574 61.300 0.051 0.000 1.188 106 I CB 1.788 39.810 38.000 0.037 0.000 1.342 106 I HN 0.303 nan 8.210 nan 0.000 0.457 107 V N 5.067 125.064 119.914 0.139 0.000 2.524 107 V HA 0.473 4.608 4.120 0.024 0.000 0.297 107 V C 0.537 176.595 176.094 -0.060 0.000 1.035 107 V CA -0.701 61.634 62.300 0.059 0.000 0.867 107 V CB 1.553 33.371 31.823 -0.008 0.000 1.004 107 V HN 0.896 nan 8.190 nan 0.000 0.426 108 G N 2.718 111.345 108.800 -0.288 0.000 2.606 108 G HA2 0.460 4.434 3.960 0.024 0.000 0.252 108 G HA3 0.460 4.434 3.960 0.024 0.000 0.252 108 G C 0.310 174.791 174.900 -0.698 0.000 1.206 108 G CA -0.321 44.167 45.100 -1.019 0.000 0.861 108 G HN 0.716 nan 8.290 nan 0.000 0.561 109 L N 0.877 121.598 121.223 -0.835 0.000 2.808 109 L HA 0.146 4.500 4.340 0.024 0.000 0.246 109 L C 1.787 178.111 176.870 -0.911 0.000 1.153 109 L CA -0.249 54.083 54.840 -0.846 0.000 0.956 109 L CB 0.085 41.567 42.059 -0.962 0.000 1.270 109 L HN 0.488 nan 8.230 nan 0.000 0.528 110 N N -0.263 117.955 118.700 -0.802 0.000 2.109 110 N HA -0.137 4.617 4.740 0.024 0.000 0.188 110 N C 1.557 176.819 175.510 -0.414 0.000 1.034 110 N CA 1.244 53.937 53.050 -0.594 0.000 0.846 110 N CB -0.141 37.963 38.487 -0.637 0.000 1.010 110 N HN 0.378 nan 8.380 nan 0.000 0.425 111 H N 1.440 120.331 119.070 -0.298 0.000 2.353 111 H HA 0.078 4.649 4.556 0.024 0.000 0.300 111 H C 2.141 177.332 175.328 -0.229 0.000 1.090 111 H CA 1.153 57.071 56.048 -0.216 0.000 1.327 111 H CB -0.552 29.105 29.762 -0.176 0.000 1.383 111 H HN 0.230 nan 8.280 nan 0.000 0.508 112 A N 1.009 123.750 122.820 -0.132 0.000 1.883 112 A HA -0.231 4.103 4.320 0.024 0.000 0.217 112 A C 2.094 179.668 177.584 -0.016 0.000 1.186 112 A CA 1.848 53.846 52.037 -0.065 0.000 0.624 112 A CB -1.073 17.901 19.000 -0.044 0.000 0.822 112 A HN 0.603 nan 8.150 nan 0.000 0.444 113 H N -1.030 117.936 119.070 -0.174 0.000 2.421 113 H HA 0.019 4.589 4.556 0.024 0.000 0.298 113 H C 2.458 177.695 175.328 -0.150 0.000 1.087 113 H CA 0.559 56.491 56.048 -0.194 0.000 1.330 113 H CB 0.026 29.673 29.762 -0.192 0.000 1.388 113 H HN 0.584 nan 8.280 nan 0.000 0.526 114 A N 0.677 123.492 122.820 -0.008 0.000 1.930 114 A HA -0.103 4.232 4.320 0.024 0.000 0.217 114 A C 2.564 180.094 177.584 -0.091 0.000 1.175 114 A CA 1.096 53.109 52.037 -0.041 0.000 0.627 114 A CB -0.609 18.378 19.000 -0.021 0.000 0.815 114 A HN 0.190 nan 8.150 nan 0.000 0.443 115 V N 0.351 120.164 119.914 -0.168 0.000 2.343 115 V HA -0.283 3.851 4.120 0.024 0.000 0.247 115 V C 2.409 178.414 176.094 -0.148 0.000 1.051 115 V CA 2.032 64.164 62.300 -0.280 0.000 1.036 115 V CB -0.731 30.663 31.823 -0.714 0.000 0.654 115 V HN 0.578 nan 8.190 nan 0.000 0.451 116 I N -0.121 120.413 120.570 -0.061 0.000 2.127 116 I HA -0.268 3.916 4.170 0.024 0.000 0.241 116 I C 2.609 178.704 176.117 -0.036 0.000 1.075 116 I CA 1.911 63.199 61.300 -0.020 0.000 1.334 116 I CB -0.427 37.459 38.000 -0.190 0.000 1.040 116 I HN 0.383 nan 8.210 nan 0.000 0.405 117 E N 0.534 120.702 120.200 -0.052 0.000 2.112 117 E HA -0.166 4.198 4.350 0.024 0.000 0.190 117 E C 2.079 178.661 176.600 -0.031 0.000 0.979 117 E CA 0.953 57.331 56.400 -0.036 0.000 0.814 117 E CB 0.084 29.761 29.700 -0.040 0.000 0.762 117 E HN 0.497 nan 8.360 nan 0.000 0.460 118 K N 0.051 120.425 120.400 -0.043 0.000 2.276 118 K HA 0.077 4.412 4.320 0.024 0.000 0.198 118 K C 2.139 178.712 176.600 -0.045 0.000 1.052 118 K CA 0.221 56.483 56.287 -0.043 0.000 0.984 118 K CB 0.275 32.744 32.500 -0.051 0.000 0.836 118 K HN -0.130 nan 8.250 nan 0.000 0.490 119 R N 0.606 121.072 120.500 -0.058 0.000 2.146 119 R HA 0.167 4.521 4.340 0.024 0.000 0.206 119 R C 1.805 178.093 176.300 -0.020 0.000 1.049 119 R CA 0.459 56.528 56.100 -0.053 0.000 1.029 119 R CB 0.252 30.499 30.300 -0.089 0.000 0.949 119 R HN 0.037 nan 8.270 nan 0.000 0.471 120 L N -0.593 120.628 121.223 -0.003 0.000 2.307 120 L HA 0.283 4.638 4.340 0.024 0.000 0.211 120 L C 0.969 177.852 176.870 0.022 0.000 1.099 120 L CA 0.589 55.447 54.840 0.030 0.000 0.816 120 L CB 0.169 42.273 42.059 0.074 0.000 0.952 120 L HN 0.548 nan 8.230 nan 0.000 0.455 121 G N 1.410 110.215 108.800 0.008 0.000 2.225 121 G HA2 -0.260 3.715 3.960 0.024 0.000 0.264 121 G HA3 -0.260 3.715 3.960 0.024 0.000 0.264 121 G C -0.021 174.889 174.900 0.017 0.000 1.060 121 G CA 0.173 45.277 45.100 0.007 0.000 0.833 121 G HN 0.353 nan 8.290 nan 0.000 0.498 122 K N -0.175 120.240 120.400 0.025 0.000 2.295 122 K HA 0.563 4.897 4.320 0.024 0.000 0.239 122 K C 0.313 176.933 176.600 0.034 0.000 0.991 122 K CA -0.810 55.506 56.287 0.048 0.000 0.845 122 K CB 1.503 34.061 32.500 0.098 0.000 1.197 122 K HN 0.484 nan 8.250 nan 0.000 0.441 123 E N 0.096 120.326 120.200 0.051 0.000 2.277 123 E HA 0.373 4.737 4.350 0.024 0.000 0.274 123 E C -0.932 175.700 176.600 0.054 0.000 1.022 123 E CA -0.917 55.500 56.400 0.028 0.000 0.853 123 E CB 1.313 31.024 29.700 0.019 0.000 1.086 123 E HN 0.023 nan 8.360 nan 0.000 0.397 124 V N 2.746 122.641 119.914 -0.032 0.000 2.417 124 V HA 0.502 4.637 4.120 0.024 0.000 0.291 124 V C 0.031 176.072 176.094 -0.088 0.000 1.024 124 V CA -0.160 62.082 62.300 -0.097 0.000 0.861 124 V CB 1.299 32.883 31.823 -0.399 0.000 0.985 124 V HN 1.004 nan 8.190 nan 0.000 0.436 125 T N 2.351 116.877 114.554 -0.047 0.000 2.838 125 T HA 0.514 4.879 4.350 0.024 0.000 0.292 125 T C -2.440 172.253 174.700 -0.013 0.000 1.113 125 T CA -1.916 60.166 62.100 -0.029 0.000 1.008 125 T CB 2.137 71.001 68.868 -0.007 0.000 1.259 125 T HN 0.251 nan 8.240 nan 0.000 0.520 126 P HA -0.060 nan 4.420 nan 0.000 0.216 126 P C 1.393 178.724 177.300 0.052 0.000 1.150 126 P CA 1.145 64.267 63.100 0.037 0.000 0.843 126 P CB 0.127 31.851 31.700 0.040 0.000 0.787 127 E N -1.000 119.221 120.200 0.035 0.000 2.047 127 E HA -0.145 4.219 4.350 0.024 0.000 0.191 127 E C 2.059 178.683 176.600 0.040 0.000 0.987 127 E CA 1.977 58.397 56.400 0.035 0.000 0.799 127 E CB -0.674 29.028 29.700 0.005 0.000 0.752 127 E HN 0.384 nan 8.360 nan 0.000 0.449 128 T N -0.282 114.285 114.554 0.023 0.000 2.821 128 T HA -0.098 4.266 4.350 0.024 0.000 0.267 128 T C 2.051 176.797 174.700 0.077 0.000 1.046 128 T CA 0.727 62.828 62.100 0.001 0.000 1.139 128 T CB -0.415 68.451 68.868 -0.003 0.000 0.871 128 T HN 0.037 nan 8.240 nan 0.000 0.454 129 I N 1.660 122.298 120.570 0.114 0.000 2.163 129 I HA -0.174 4.011 4.170 0.024 0.000 0.243 129 I C 2.989 179.200 176.117 0.157 0.000 1.085 129 I CA 1.622 63.027 61.300 0.176 0.000 1.347 129 I CB -0.878 37.200 38.000 0.131 0.000 1.044 129 I HN 0.286 nan 8.210 nan 0.000 0.408 130 T N -0.991 113.633 114.554 0.116 0.000 2.720 130 T HA -0.292 4.072 4.350 0.024 0.000 0.268 130 T C 1.894 176.613 174.700 0.033 0.000 1.037 130 T CA 2.018 64.178 62.100 0.100 0.000 1.144 130 T CB -0.451 68.518 68.868 0.168 0.000 0.864 130 T HN 0.434 nan 8.240 nan 0.000 0.444 131 H N 0.006 119.054 119.070 -0.037 0.000 2.321 131 H HA -0.100 4.470 4.556 0.024 0.000 0.300 131 H C 2.013 177.262 175.328 -0.132 0.000 1.087 131 H CA 1.752 57.749 56.048 -0.085 0.000 1.319 131 H CB -0.691 29.005 29.762 -0.110 0.000 1.379 131 H HN 0.465 nan 8.280 nan 0.000 0.501 132 Y N 0.590 120.723 120.300 -0.278 0.000 2.151 132 Y HA -0.240 4.325 4.550 0.024 0.000 0.284 132 Y C 2.130 177.857 175.900 -0.288 0.000 1.166 132 Y CA 2.073 60.017 58.100 -0.260 0.000 1.163 132 Y CB -0.511 37.931 38.460 -0.030 0.000 0.974 132 Y HN 0.264 nan 8.280 nan 0.000 0.511 133 L N -0.083 120.840 121.223 -0.501 0.000 2.156 133 L HA -0.125 4.230 4.340 0.024 0.000 0.208 133 L C 2.532 178.799 176.870 -1.004 0.000 1.095 133 L CA 1.502 55.830 54.840 -0.853 0.000 0.770 133 L CB -0.512 40.925 42.059 -1.036 0.000 0.914 133 L HN 0.276 nan 8.230 nan 0.000 0.439 134 E N -0.178 119.610 120.200 -0.686 0.000 2.110 134 E HA -0.193 4.171 4.350 0.024 0.000 0.193 134 E C 1.926 178.380 176.600 -0.242 0.000 0.988 134 E CA 1.669 57.922 56.400 -0.245 0.000 0.804 134 E CB 0.165 29.866 29.700 0.002 0.000 0.745 134 E HN 0.377 nan 8.360 nan 0.000 0.458 135 T N 0.058 114.373 114.554 -0.399 0.000 2.777 135 T HA -0.120 4.244 4.350 0.024 0.000 0.266 135 T C 1.790 176.318 174.700 -0.287 0.000 1.040 135 T CA 1.127 63.019 62.100 -0.347 0.000 1.141 135 T CB -0.152 68.440 68.868 -0.460 0.000 0.868 135 T HN 0.063 nan 8.240 nan 0.000 0.444 136 V N 2.099 121.716 119.914 -0.494 0.000 2.871 136 V HA -0.020 4.114 4.120 0.024 0.000 0.256 136 V C 1.983 177.973 176.094 -0.173 0.000 1.082 136 V CA 1.174 63.247 62.300 -0.379 0.000 1.105 136 V CB -0.514 30.952 31.823 -0.595 0.000 0.713 136 V HN 0.439 nan 8.190 nan 0.000 0.473 137 N N -0.379 118.236 118.700 -0.142 0.000 2.396 137 N HA -0.156 4.599 4.740 0.024 0.000 0.180 137 N C 1.636 177.194 175.510 0.080 0.000 1.028 137 N CA 1.420 54.491 53.050 0.036 0.000 0.893 137 N CB -0.116 38.468 38.487 0.161 0.000 0.967 137 N HN 0.751 nan 8.380 nan 0.000 0.440 138 H N 0.623 119.670 119.070 -0.038 0.000 2.372 138 H HA 0.165 4.736 4.556 0.024 0.000 0.301 138 H C 1.885 177.202 175.328 -0.019 0.000 1.065 138 H CA 1.707 57.743 56.048 -0.020 0.000 1.364 138 H CB 0.059 29.793 29.762 -0.046 0.000 1.406 138 H HN 0.130 nan 8.280 nan 0.000 0.521 139 A N 0.313 123.097 122.820 -0.060 0.000 1.930 139 A HA -0.034 4.300 4.320 0.024 0.000 0.215 139 A C 2.326 179.862 177.584 -0.080 0.000 1.176 139 A CA 1.321 53.291 52.037 -0.111 0.000 0.632 139 A CB -0.592 18.369 19.000 -0.066 0.000 0.819 139 A HN 0.521 nan 8.150 nan 0.000 0.445 140 M N 0.472 120.065 119.600 -0.012 0.000 2.149 140 M HA -0.033 4.462 4.480 0.024 0.000 0.261 140 M C -1.307 175.167 176.300 0.290 0.000 1.064 140 M CA 1.565 56.932 55.300 0.111 0.000 1.102 140 M CB -0.961 31.696 32.600 0.095 0.000 1.369 140 M HN 0.153 nan 8.290 nan 0.000 0.408 141 P HA 0.205 nan 4.420 nan 0.000 0.233 141 P C 0.192 177.659 177.300 0.279 0.000 1.167 141 P CA 1.476 64.704 63.100 0.214 0.000 0.770 141 P CB 0.060 31.822 31.700 0.102 0.000 0.837 142 G N -1.688 107.190 108.800 0.129 0.000 2.441 142 G HA2 0.213 4.187 3.960 0.024 0.000 0.139 142 G HA3 0.213 4.187 3.960 0.024 0.000 0.139 142 G C -0.222 174.635 174.900 -0.071 0.000 1.067 142 G CA -0.293 44.843 45.100 0.060 0.000 0.766 142 G HN 0.510 nan 8.290 nan 0.000 0.484 143 A N -0.638 122.068 122.820 -0.190 0.000 2.454 143 A HA 1.080 5.414 4.320 0.024 0.000 0.302 143 A C 0.307 177.805 177.584 -0.143 0.000 1.079 143 A CA 0.201 52.078 52.037 -0.267 0.000 0.731 143 A CB 1.577 20.177 19.000 -0.667 0.000 1.299 143 A HN 2.070 nan 8.150 nan 0.000 0.413 144 A N 0.021 122.863 122.820 0.036 0.000 2.293 144 A HA 0.598 4.933 4.320 0.024 0.000 0.302 144 A C 0.784 178.458 177.584 0.151 0.000 1.119 144 A CA 0.250 52.329 52.037 0.070 0.000 0.823 144 A CB 0.525 19.548 19.000 0.037 0.000 1.097 144 A HN 2.000 nan 8.150 nan 0.000 0.491 145 V N -0.504 119.445 119.914 0.059 0.000 3.497 145 V HA 0.203 4.338 4.120 0.024 0.000 0.272 145 V C 0.769 176.857 176.094 -0.009 0.000 1.474 145 V CA 0.844 63.155 62.300 0.018 0.000 1.025 145 V CB -0.423 31.400 31.823 -0.001 0.000 0.820 145 V HN 0.489 nan 8.190 nan 0.000 0.437 146 V N -0.541 119.371 119.914 -0.004 0.000 3.054 146 V HA 0.250 4.384 4.120 0.024 0.000 0.227 146 V C 0.946 177.041 176.094 0.001 0.000 1.252 146 V CA 0.454 62.751 62.300 -0.006 0.000 1.279 146 V CB 0.250 32.068 31.823 -0.008 0.000 1.118 146 V HN 0.431 nan 8.190 nan 0.000 0.504 147 Q N 0.970 120.773 119.800 0.005 0.000 2.354 147 Q HA 0.296 4.651 4.340 0.024 0.000 0.244 147 Q C -0.335 175.680 176.000 0.025 0.000 0.969 147 Q CA -0.130 55.681 55.803 0.015 0.000 0.885 147 Q CB 1.364 30.111 28.738 0.016 0.000 1.241 147 Q HN 0.382 nan 8.270 nan 0.000 0.461 148 E N 1.251 121.474 120.200 0.038 0.000 2.349 148 E HA -0.043 4.322 4.350 0.024 0.000 0.265 148 E C -0.562 176.112 176.600 0.123 0.000 1.064 148 E CA 0.068 56.504 56.400 0.060 0.000 0.886 148 E CB 0.384 30.122 29.700 0.063 0.000 1.036 148 E HN 0.641 nan 8.360 nan 0.000 0.413 149 H N 2.802 121.871 119.070 -0.001 0.000 2.886 149 H HA -0.138 4.433 4.556 0.024 0.000 0.294 149 H C -0.820 174.507 175.328 -0.001 0.000 1.246 149 H CA 0.646 56.694 56.048 -0.001 0.000 1.142 149 H CB -0.691 29.071 29.762 -0.001 0.000 1.358 149 H HN 0.397 nan 8.280 nan 0.000 0.406 150 M N 0.946 120.565 119.600 0.032 0.000 2.235 150 M HA 0.282 4.777 4.480 0.024 0.000 0.351 150 M C 0.905 177.193 176.300 -0.020 0.000 1.178 150 M CA -0.359 54.954 55.300 0.022 0.000 1.143 150 M CB 1.277 33.882 32.600 0.008 0.000 1.530 150 M HN 0.158 nan 8.290 nan 0.000 0.461 151 V N 0.638 120.554 119.914 0.003 0.000 2.581 151 V HA 0.720 4.854 4.120 0.024 0.000 0.303 151 V C -0.426 175.665 176.094 -0.005 0.000 1.041 151 V CA -0.679 61.615 62.300 -0.010 0.000 0.907 151 V CB 1.861 33.691 31.823 0.013 0.000 0.994 151 V HN 0.889 nan 8.190 nan 0.000 0.442 152 E N 1.432 121.627 120.200 -0.009 0.000 2.359 152 E HA 0.559 4.923 4.350 0.024 0.000 0.266 152 E C -0.576 176.036 176.600 0.020 0.000 0.920 152 E CA -0.844 55.551 56.400 -0.009 0.000 0.788 152 E CB 2.171 31.852 29.700 -0.031 0.000 1.279 152 E HN 0.971 nan 8.360 nan 0.000 0.438 153 T N -1.284 113.297 114.554 0.045 0.000 2.913 153 T HA 0.040 4.404 4.350 0.024 0.000 0.297 153 T C 0.226 174.979 174.700 0.087 0.000 1.029 153 T CA -0.637 61.521 62.100 0.096 0.000 1.104 153 T CB 0.634 69.591 68.868 0.149 0.000 0.964 153 T HN 0.384 nan 8.240 nan 0.000 0.532 154 H N 3.493 122.583 119.070 0.034 0.000 2.975 154 H HA 0.152 4.723 4.556 0.024 0.000 0.303 154 H C -1.849 173.494 175.328 0.026 0.000 1.023 154 H CA -1.879 54.184 56.048 0.025 0.000 1.473 154 H CB 1.105 30.883 29.762 0.025 0.000 1.498 154 H HN 0.418 nan 8.280 nan 0.000 0.549 155 P HA -0.119 nan 4.420 nan 0.000 0.216 155 P C 1.085 178.519 177.300 0.224 0.000 1.150 155 P CA 1.954 65.156 63.100 0.169 0.000 0.837 155 P CB 0.159 31.908 31.700 0.082 0.000 0.786 156 A N -0.801 122.249 122.820 0.384 0.000 1.969 156 A HA -0.117 4.218 4.320 0.024 0.000 0.218 156 A C 2.120 179.716 177.584 0.020 0.000 1.169 156 A CA 1.163 53.274 52.037 0.124 0.000 0.635 156 A CB -1.516 17.488 19.000 0.008 0.000 0.810 156 A HN 0.130 nan 8.150 nan 0.000 0.445 157 L N -0.253 120.973 121.223 0.005 0.000 2.291 157 L HA -0.068 4.286 4.340 0.024 0.000 0.214 157 L C 1.485 178.368 176.870 0.023 0.000 1.120 157 L CA 1.098 55.928 54.840 -0.017 0.000 0.799 157 L CB -0.058 41.997 42.059 -0.007 0.000 0.925 157 L HN 0.427 nan 8.230 nan 0.000 0.446 158 V N -5.063 114.887 119.914 0.060 0.000 3.006 158 V HA 0.420 4.554 4.120 0.024 0.000 0.357 158 V C 1.637 177.770 176.094 0.065 0.000 1.377 158 V CA 0.257 62.587 62.300 0.049 0.000 1.198 158 V CB -0.056 31.810 31.823 0.072 0.000 1.216 158 V HN 0.126 nan 8.190 nan 0.000 0.520 159 A N 1.788 124.648 122.820 0.068 0.000 2.070 159 A HA -0.150 4.184 4.320 0.024 0.000 0.220 159 A C 1.849 179.500 177.584 0.111 0.000 1.159 159 A CA 1.803 53.888 52.037 0.080 0.000 0.656 159 A CB -0.374 18.662 19.000 0.059 0.000 0.800 159 A HN 0.802 nan 8.150 nan 0.000 0.453 160 D N -0.939 119.524 120.400 0.104 0.000 2.350 160 D HA 0.050 4.704 4.640 0.024 0.000 0.213 160 D C 0.677 177.078 176.300 0.168 0.000 1.031 160 D CA 0.523 54.618 54.000 0.158 0.000 0.861 160 D CB -0.355 40.508 40.800 0.105 0.000 0.926 160 D HN 0.212 nan 8.370 nan 0.000 0.520 161 S N -0.077 115.682 115.700 0.097 0.000 2.537 161 S HA 0.495 4.979 4.470 0.024 0.000 0.275 161 S C -0.868 173.821 174.600 0.149 0.000 1.272 161 S CA -0.617 57.589 58.200 0.010 0.000 1.050 161 S CB 0.064 63.256 63.200 -0.014 0.000 0.961 161 S HN 0.372 nan 8.310 nan 0.000 0.496 162 Y N 0.395 120.718 120.300 0.037 0.000 2.814 162 Y HA 0.640 5.204 4.550 0.024 0.000 0.348 162 Y C -1.942 173.988 175.900 0.050 0.000 1.245 162 Y CA -1.394 56.739 58.100 0.055 0.000 1.086 162 Y CB 0.555 39.058 38.460 0.072 0.000 1.373 162 Y HN 0.288 nan 8.280 nan 0.000 0.451 163 V N 1.981 122.066 119.914 0.285 0.000 2.577 163 V HA 0.547 4.681 4.120 0.024 0.000 0.303 163 V C -0.615 175.669 176.094 0.317 0.000 1.042 163 V CA -1.036 61.367 62.300 0.171 0.000 0.872 163 V CB 1.569 33.421 31.823 0.048 0.000 0.998 163 V HN 0.750 nan 8.190 nan 0.000 0.423 164 K N 2.461 123.044 120.400 0.305 0.000 2.352 164 K HA 0.893 5.227 4.320 0.024 0.000 0.240 164 K C -0.958 175.778 176.600 0.226 0.000 1.017 164 K CA -0.829 55.646 56.287 0.313 0.000 0.851 164 K CB 2.752 35.457 32.500 0.342 0.000 1.261 164 K HN 0.579 nan 8.250 nan 0.000 0.451 165 V N -1.404 118.647 119.914 0.229 0.000 3.046 165 V HA 0.807 4.942 4.120 0.024 0.000 0.316 165 V C -0.911 175.339 176.094 0.259 0.000 1.104 165 V CA -0.903 61.484 62.300 0.145 0.000 1.006 165 V CB 1.126 33.002 31.823 0.088 0.000 1.058 165 V HN 0.796 nan 8.190 nan 0.000 0.440 166 F N -1.009 119.030 119.950 0.149 0.000 2.662 166 F HA 0.943 5.484 4.527 0.024 0.000 0.312 166 F C -0.539 175.350 175.800 0.149 0.000 1.113 166 F CA -0.454 57.625 58.000 0.132 0.000 0.951 166 F CB 1.663 40.726 39.000 0.105 0.000 1.344 166 F HN 0.872 nan 8.300 nan 0.000 0.462 167 T N -0.508 114.247 114.554 0.336 0.000 2.885 167 T HA 0.478 4.842 4.350 0.024 0.000 0.322 167 T C 0.434 175.260 174.700 0.209 0.000 1.387 167 T CA -0.057 62.172 62.100 0.215 0.000 1.041 167 T CB 1.413 70.344 68.868 0.105 0.000 1.287 167 T HN 1.219 nan 8.240 nan 0.000 0.491 168 G N 2.152 111.050 108.800 0.163 0.000 2.650 168 G HA2 0.038 4.013 3.960 0.024 0.000 0.214 168 G HA3 0.038 4.013 3.960 0.024 0.000 0.214 168 G C 0.668 175.614 174.900 0.076 0.000 1.136 168 G CA -0.093 45.069 45.100 0.103 0.000 0.789 168 G HN 0.670 nan 8.290 nan 0.000 0.536 169 N N 1.198 119.944 118.700 0.076 0.000 2.439 169 N HA 0.057 4.811 4.740 0.024 0.000 0.243 169 N C 0.144 175.692 175.510 0.062 0.000 1.088 169 N CA -0.279 52.805 53.050 0.058 0.000 0.940 169 N CB 0.852 39.369 38.487 0.049 0.000 1.180 169 N HN -0.036 nan 8.380 nan 0.000 0.505 170 D N 2.900 123.333 120.400 0.055 0.000 2.144 170 D HA -0.156 4.498 4.640 0.024 0.000 0.199 170 D C 1.001 177.332 176.300 0.052 0.000 0.984 170 D CA 1.482 55.516 54.000 0.056 0.000 0.834 170 D CB 0.427 41.254 40.800 0.046 0.000 0.955 170 D HN 0.599 nan 8.370 nan 0.000 0.465 171 E N 0.457 120.683 120.200 0.043 0.000 2.072 171 E HA -0.062 4.302 4.350 0.024 0.000 0.191 171 E C 2.307 178.934 176.600 0.043 0.000 0.985 171 E CA 0.356 56.779 56.400 0.038 0.000 0.801 171 E CB -0.245 29.474 29.700 0.031 0.000 0.750 171 E HN 0.353 nan 8.360 nan 0.000 0.452 172 I N 0.491 121.089 120.570 0.047 0.000 2.202 172 I HA -0.245 3.939 4.170 0.024 0.000 0.242 172 I C 2.269 178.427 176.117 0.068 0.000 1.091 172 I CA 0.986 62.317 61.300 0.051 0.000 1.368 172 I CB -0.332 37.696 38.000 0.047 0.000 1.058 172 I HN 0.082 nan 8.210 nan 0.000 0.410 173 A N 0.319 123.185 122.820 0.078 0.000 1.908 173 A HA -0.291 4.044 4.320 0.024 0.000 0.218 173 A C 2.043 179.678 177.584 0.086 0.000 1.181 173 A CA 2.133 54.227 52.037 0.096 0.000 0.627 173 A CB -0.715 18.348 19.000 0.105 0.000 0.818 173 A HN 0.364 nan 8.150 nan 0.000 0.445 174 D N -0.479 119.961 120.400 0.068 0.000 2.228 174 D HA -0.124 4.530 4.640 0.024 0.000 0.203 174 D C 1.542 177.877 176.300 0.057 0.000 0.988 174 D CA 1.120 55.154 54.000 0.057 0.000 0.864 174 D CB -0.049 40.778 40.800 0.045 0.000 0.928 174 D HN 0.461 nan 8.370 nan 0.000 0.469 175 E N -0.232 120.004 120.200 0.061 0.000 2.442 175 E HA 0.099 4.463 4.350 0.024 0.000 0.195 175 E C 0.761 177.409 176.600 0.081 0.000 1.030 175 E CA -0.089 56.346 56.400 0.060 0.000 0.869 175 E CB 0.814 30.544 29.700 0.050 0.000 0.857 175 E HN 0.379 nan 8.360 nan 0.000 0.505 176 I N 2.008 122.640 120.570 0.104 0.000 2.440 176 I HA 0.019 4.204 4.170 0.024 0.000 0.294 176 I C 0.696 176.909 176.117 0.160 0.000 0.995 176 I CA -0.747 60.644 61.300 0.152 0.000 1.306 176 I CB 0.800 38.905 38.000 0.175 0.000 1.407 176 I HN -0.213 nan 8.210 nan 0.000 0.501 177 D N 8.821 129.347 120.400 0.211 0.000 2.658 177 D HA -0.060 4.594 4.640 0.024 0.000 0.230 177 D C -1.443 174.887 176.300 0.049 0.000 1.118 177 D CA -1.065 53.004 54.000 0.115 0.000 0.848 177 D CB 1.141 42.027 40.800 0.144 0.000 1.160 177 D HN 0.258 nan 8.370 nan 0.000 0.497 178 P HA -0.122 nan 4.420 nan 0.000 0.225 178 P C 0.932 178.175 177.300 -0.095 0.000 1.148 178 P CA 0.931 64.020 63.100 -0.018 0.000 0.779 178 P CB 0.063 31.751 31.700 -0.021 0.000 0.780 179 A N -0.643 122.013 122.820 -0.273 0.000 2.019 179 A HA -0.104 4.231 4.320 0.024 0.000 0.219 179 A C 1.724 179.095 177.584 -0.355 0.000 1.164 179 A CA 1.063 52.856 52.037 -0.406 0.000 0.644 179 A CB -1.611 16.996 19.000 -0.654 0.000 0.805 179 A HN 0.206 nan 8.150 nan 0.000 0.449 180 F N -0.852 119.118 119.950 0.033 0.000 2.765 180 F HA 0.249 4.790 4.527 0.024 0.000 0.302 180 F C 0.077 175.932 175.800 0.091 0.000 1.111 180 F CA -0.271 57.765 58.000 0.061 0.000 1.359 180 F CB 0.504 39.546 39.000 0.070 0.000 1.097 180 F HN -0.157 nan 8.300 nan 0.000 0.577 181 V N 2.130 122.164 119.914 0.199 0.000 2.448 181 V HA 0.267 4.402 4.120 0.024 0.000 0.295 181 V C 0.116 176.309 176.094 0.166 0.000 1.025 181 V CA -1.033 61.385 62.300 0.196 0.000 0.859 181 V CB 2.002 33.923 31.823 0.163 0.000 0.988 181 V HN 0.028 nan 8.190 nan 0.000 0.431 182 I N 4.153 124.853 120.570 0.217 0.000 2.406 182 I HA 0.133 4.317 4.170 0.024 0.000 0.293 182 I C 0.294 176.513 176.117 0.171 0.000 1.101 182 I CA 0.105 61.513 61.300 0.180 0.000 1.334 182 I CB 0.418 38.533 38.000 0.191 0.000 1.421 182 I HN 0.567 nan 8.210 nan 0.000 0.513 183 D N 7.667 128.143 120.400 0.126 0.000 2.402 183 D HA 0.145 4.800 4.640 0.024 0.000 0.235 183 D C 1.123 177.511 176.300 0.146 0.000 1.226 183 D CA -0.032 54.040 54.000 0.119 0.000 0.918 183 D CB 0.716 41.565 40.800 0.081 0.000 1.043 183 D HN 0.436 nan 8.370 nan 0.000 0.506 184 I N 2.765 123.437 120.570 0.169 0.000 2.264 184 I HA -0.304 3.880 4.170 0.024 0.000 0.248 184 I C 1.930 178.190 176.117 0.237 0.000 1.111 184 I CA 0.629 62.071 61.300 0.236 0.000 1.382 184 I CB -0.149 37.897 38.000 0.076 0.000 1.060 184 I HN 0.377 nan 8.210 nan 0.000 0.418 185 N N 0.900 119.681 118.700 0.136 0.000 2.244 185 N HA -0.186 4.569 4.740 0.024 0.000 0.183 185 N C 1.820 177.386 175.510 0.094 0.000 1.016 185 N CA 1.074 54.186 53.050 0.104 0.000 0.866 185 N CB -0.182 38.347 38.487 0.069 0.000 0.980 185 N HN 0.444 nan 8.380 nan 0.000 0.430 186 K N 0.798 121.247 120.400 0.081 0.000 2.103 186 K HA -0.014 4.321 4.320 0.024 0.000 0.204 186 K C 1.546 178.156 176.600 0.016 0.000 1.052 186 K CA 0.846 57.160 56.287 0.044 0.000 0.945 186 K CB 0.294 32.814 32.500 0.032 0.000 0.722 186 K HN 0.023 nan 8.250 nan 0.000 0.443 187 Q N -0.714 119.093 119.800 0.012 0.000 2.398 187 Q HA 0.083 4.438 4.340 0.024 0.000 0.204 187 Q C -0.278 175.472 176.000 -0.416 0.000 0.932 187 Q CA 0.614 56.296 55.803 -0.202 0.000 0.916 187 Q CB 0.479 29.061 28.738 -0.261 0.000 1.024 187 Q HN 0.120 nan 8.270 nan 0.000 0.504 188 F N 1.423 121.367 119.950 -0.009 0.000 2.546 188 F HA 0.394 4.935 4.527 0.024 0.000 0.320 188 F C -1.902 173.855 175.800 -0.072 0.000 1.076 188 F CA -2.728 55.251 58.000 -0.035 0.000 0.928 188 F CB 1.333 40.307 39.000 -0.044 0.000 1.189 188 F HN -0.167 nan 8.300 nan 0.000 0.465 189 P HA -0.005 nan 4.420 nan 0.000 0.269 189 P C 0.419 177.675 177.300 -0.074 0.000 1.217 189 P CA 0.057 63.066 63.100 -0.153 0.000 0.783 189 P CB 1.019 32.326 31.700 -0.654 0.000 0.898 190 E N 0.644 120.805 120.200 -0.066 0.000 2.049 190 E HA -0.255 4.110 4.350 0.024 0.000 0.198 190 E C 1.029 177.611 176.600 -0.031 0.000 1.007 190 E CA 1.734 58.120 56.400 -0.024 0.000 0.809 190 E CB -0.114 29.576 29.700 -0.016 0.000 0.749 190 E HN 0.374 nan 8.360 nan 0.000 0.450 191 D N 0.089 120.455 120.400 -0.057 0.000 2.117 191 D HA -0.153 4.501 4.640 0.024 0.000 0.198 191 D C 2.047 178.321 176.300 -0.042 0.000 0.982 191 D CA 0.986 54.960 54.000 -0.042 0.000 0.828 191 D CB -0.284 40.491 40.800 -0.041 0.000 0.967 191 D HN 0.324 nan 8.370 nan 0.000 0.464 192 Q N 0.298 120.065 119.800 -0.055 0.000 2.119 192 Q HA -0.039 4.316 4.340 0.024 0.000 0.201 192 Q C 2.227 178.168 176.000 -0.099 0.000 0.972 192 Q CA 1.264 57.041 55.803 -0.043 0.000 0.847 192 Q CB -0.113 28.645 28.738 0.034 0.000 0.903 192 Q HN 0.224 nan 8.270 nan 0.000 0.433 193 A N 1.337 124.131 122.820 -0.042 0.000 1.883 193 A HA -0.282 4.052 4.320 0.024 0.000 0.217 193 A C 1.926 179.468 177.584 -0.070 0.000 1.186 193 A CA 1.719 53.719 52.037 -0.062 0.000 0.624 193 A CB -0.575 18.445 19.000 0.034 0.000 0.822 193 A HN 0.426 nan 8.150 nan 0.000 0.444 194 E N -0.884 119.295 120.200 -0.036 0.000 2.038 194 E HA -0.184 4.181 4.350 0.024 0.000 0.195 194 E C 2.067 178.653 176.600 -0.025 0.000 1.000 194 E CA 1.849 58.237 56.400 -0.021 0.000 0.803 194 E CB -0.192 29.502 29.700 -0.009 0.000 0.750 194 E HN 0.581 nan 8.360 nan 0.000 0.448 195 T N 1.315 115.855 114.554 -0.024 0.000 2.684 195 T HA -0.172 4.192 4.350 0.024 0.000 0.267 195 T C 1.898 176.585 174.700 -0.022 0.000 1.036 195 T CA 1.368 63.472 62.100 0.007 0.000 1.148 195 T CB -0.242 68.653 68.868 0.044 0.000 0.863 195 T HN 0.145 nan 8.240 nan 0.000 0.436 196 L N 0.304 121.455 121.223 -0.121 0.000 2.056 196 L HA -0.076 4.279 4.340 0.024 0.000 0.207 196 L C 2.713 179.491 176.870 -0.154 0.000 1.078 196 L CA 1.337 56.041 54.840 -0.226 0.000 0.749 196 L CB -0.443 41.331 42.059 -0.475 0.000 0.901 196 L HN 0.211 nan 8.230 nan 0.000 0.433 197 K N 0.145 120.485 120.400 -0.100 0.000 2.057 197 K HA -0.158 4.176 4.320 0.024 0.000 0.207 197 K C 2.242 178.838 176.600 -0.008 0.000 1.049 197 K CA 1.419 57.688 56.287 -0.030 0.000 0.931 197 K CB -0.306 32.189 32.500 -0.008 0.000 0.714 197 K HN 0.277 nan 8.250 nan 0.000 0.440 198 A N 1.825 124.638 122.820 -0.011 0.000 1.940 198 A HA -0.198 4.137 4.320 0.024 0.000 0.219 198 A C 1.943 179.525 177.584 -0.002 0.000 1.176 198 A CA 1.493 53.533 52.037 0.004 0.000 0.631 198 A CB -0.257 18.751 19.000 0.013 0.000 0.814 198 A HN 0.206 nan 8.150 nan 0.000 0.446 199 E N -0.244 119.936 120.200 -0.033 0.000 2.072 199 E HA -0.091 4.274 4.350 0.024 0.000 0.191 199 E C 2.195 178.760 176.600 -0.059 0.000 0.985 199 E CA 1.328 57.686 56.400 -0.069 0.000 0.801 199 E CB -0.489 29.093 29.700 -0.196 0.000 0.750 199 E HN 0.428 nan 8.360 nan 0.000 0.452 200 V N 0.272 120.165 119.914 -0.035 0.000 2.407 200 V HA -0.048 4.086 4.120 0.024 0.000 0.245 200 V C 1.643 177.796 176.094 0.100 0.000 1.041 200 V CA 1.219 63.555 62.300 0.059 0.000 1.040 200 V CB -1.055 30.861 31.823 0.156 0.000 0.671 200 V HN 0.450 nan 8.190 nan 0.000 0.455 201 G N 0.744 109.582 108.800 0.064 0.000 2.574 201 G HA2 -0.333 3.641 3.960 0.024 0.000 0.286 201 G HA3 -0.333 3.641 3.960 0.024 0.000 0.286 201 G C 0.285 175.227 174.900 0.070 0.000 1.212 201 G CA 0.433 45.568 45.100 0.058 0.000 0.979 201 G HN 0.365 nan 8.290 nan 0.000 0.557 202 D N 1.919 122.350 120.400 0.052 0.000 2.340 202 D HA 0.257 4.912 4.640 0.024 0.000 0.220 202 D C 1.694 178.005 176.300 0.019 0.000 1.039 202 D CA 1.006 55.028 54.000 0.036 0.000 0.866 202 D CB -0.589 40.222 40.800 0.019 0.000 0.913 202 D HN 0.786 nan 8.370 nan 0.000 0.523 203 G N 0.800 109.629 108.800 0.048 0.000 2.474 203 G HA2 0.227 4.201 3.960 0.024 0.000 0.233 203 G HA3 0.227 4.201 3.960 0.024 0.000 0.233 203 G C -0.003 174.858 174.900 -0.065 0.000 1.278 203 G CA -0.153 44.940 45.100 -0.012 0.000 0.861 203 G HN 0.155 nan 8.290 nan 0.000 0.567 204 I N 1.037 121.388 120.570 -0.365 0.000 2.418 204 I HA 0.349 4.534 4.170 0.024 0.000 0.287 204 I C -1.009 174.671 176.117 -0.729 0.000 1.008 204 I CA -0.528 60.560 61.300 -0.352 0.000 1.104 204 I CB 1.819 39.688 38.000 -0.219 0.000 1.264 204 I HN 0.459 nan 8.210 nan 0.000 0.438 205 W N 4.585 125.524 121.300 -0.601 0.000 2.702 205 W HA 0.501 5.176 4.660 0.025 0.000 0.331 205 W C -0.481 175.704 176.519 -0.556 0.000 1.049 205 W CA -0.427 56.509 57.345 -0.681 0.000 1.230 205 W CB 1.478 30.279 29.460 -1.100 0.000 1.408 205 W HN 0.320 nan 8.180 nan 0.000 0.492 206 Q N 1.385 121.116 119.800 -0.115 0.000 2.259 206 Q HA 0.509 4.864 4.340 0.024 0.000 0.249 206 Q C -0.700 175.337 176.000 0.061 0.000 0.914 206 Q CA -0.736 55.060 55.803 -0.012 0.000 0.904 206 Q CB 1.886 30.632 28.738 0.013 0.000 1.213 206 Q HN 0.222 nan 8.270 nan 0.000 0.428 207 V N 3.234 123.209 119.914 0.102 0.000 2.328 207 V HA 0.252 4.386 4.120 0.024 0.000 0.278 207 V C -0.420 175.656 176.094 -0.031 0.000 1.021 207 V CA -0.644 61.691 62.300 0.059 0.000 0.838 207 V CB 1.301 33.181 31.823 0.096 0.000 0.999 207 V HN 0.497 nan 8.190 nan 0.000 0.447 208 V N 6.771 126.638 119.914 -0.078 0.000 2.370 208 V HA 0.523 4.658 4.120 0.024 0.000 0.283 208 V C 0.146 176.112 176.094 -0.213 0.000 1.023 208 V CA -0.744 61.489 62.300 -0.112 0.000 0.857 208 V CB 1.552 33.354 31.823 -0.035 0.000 0.985 208 V HN 0.816 nan 8.190 nan 0.000 0.443 209 R N 5.685 125.969 120.500 -0.360 0.000 2.310 209 R HA 0.599 4.953 4.340 0.024 0.000 0.324 209 R C -0.334 175.797 176.300 -0.281 0.000 0.955 209 R CA -0.528 55.351 56.100 -0.369 0.000 0.830 209 R CB 1.872 31.831 30.300 -0.569 0.000 1.154 209 R HN 0.820 nan 8.270 nan 0.000 0.458 210 I N -0.285 120.128 120.570 -0.262 0.000 3.021 210 I HA 0.464 4.649 4.170 0.024 0.000 0.303 210 I C -2.299 173.591 176.117 -0.378 0.000 1.044 210 I CA -2.789 58.271 61.300 -0.399 0.000 1.266 210 I CB 0.504 38.107 38.000 -0.662 0.000 1.447 210 I HN 0.238 nan 8.210 nan 0.000 0.593 211 P HA 0.122 nan 4.420 nan 0.000 0.271 211 P C 0.254 177.408 177.300 -0.243 0.000 1.216 211 P CA -0.059 62.876 63.100 -0.275 0.000 0.771 211 P CB 0.834 32.372 31.700 -0.269 0.000 0.864 212 T N 2.610 117.085 114.554 -0.132 0.000 2.699 212 T HA -0.203 4.162 4.350 0.024 0.000 0.268 212 T C 1.631 176.278 174.700 -0.089 0.000 1.036 212 T CA 1.212 63.257 62.100 -0.091 0.000 1.147 212 T CB -0.723 68.136 68.868 -0.015 0.000 0.862 212 T HN 0.415 nan 8.240 nan 0.000 0.446 213 I N 0.668 121.190 120.570 -0.081 0.000 2.264 213 I HA -0.177 4.008 4.170 0.024 0.000 0.248 213 I C 2.192 178.257 176.117 -0.087 0.000 1.111 213 I CA 1.154 62.419 61.300 -0.059 0.000 1.382 213 I CB -0.033 37.946 38.000 -0.035 0.000 1.060 213 I HN 0.065 nan 8.210 nan 0.000 0.418 214 V N -0.342 119.463 119.914 -0.181 0.000 2.307 214 V HA -0.259 3.875 4.120 0.024 0.000 0.245 214 V C 2.551 178.547 176.094 -0.164 0.000 1.045 214 V CA 2.034 64.199 62.300 -0.225 0.000 1.024 214 V CB -0.506 30.971 31.823 -0.578 0.000 0.651 214 V HN 0.506 nan 8.190 nan 0.000 0.449 215 S N -0.327 115.256 115.700 -0.195 0.000 2.370 215 S HA -0.235 4.249 4.470 0.024 0.000 0.226 215 S C 2.170 176.739 174.600 -0.051 0.000 1.033 215 S CA 1.793 59.913 58.200 -0.133 0.000 1.011 215 S CB -0.218 62.873 63.200 -0.182 0.000 0.852 215 S HN 0.580 nan 8.310 nan 0.000 0.457 216 R N -0.167 120.312 120.500 -0.035 0.000 2.092 216 R HA -0.009 4.345 4.340 0.024 0.000 0.231 216 R C 2.432 178.747 176.300 0.025 0.000 1.119 216 R CA 1.740 57.850 56.100 0.018 0.000 0.970 216 R CB -0.859 29.457 30.300 0.027 0.000 0.864 216 R HN 0.366 nan 8.270 nan 0.000 0.440 217 T N 0.231 114.790 114.554 0.008 0.000 2.867 217 T HA -0.096 4.268 4.350 0.024 0.000 0.268 217 T C 1.562 176.286 174.700 0.039 0.000 1.057 217 T CA 0.939 63.053 62.100 0.024 0.000 1.136 217 T CB -0.032 68.850 68.868 0.023 0.000 0.874 217 T HN 0.280 nan 8.240 nan 0.000 0.466 218 C N 0.739 120.060 119.300 0.035 0.000 2.619 218 C HA 0.590 5.064 4.460 0.024 0.000 0.073 218 C C 0.012 175.051 174.990 0.081 0.000 2.364 218 C CA -0.468 58.586 59.018 0.059 0.000 1.846 218 C CB 0.647 28.425 27.740 0.064 0.000 2.824 218 C HN 0.712 nan 8.230 nan 0.000 0.336 219 D N -1.157 119.297 120.400 0.091 0.000 2.759 219 D HA 0.308 4.962 4.640 0.024 0.000 0.321 219 D C 0.559 176.931 176.300 0.121 0.000 1.267 219 D CA 0.233 54.317 54.000 0.140 0.000 0.933 219 D CB 0.459 41.361 40.800 0.170 0.000 1.431 219 D HN 0.470 nan 8.370 nan 0.000 0.504 220 G N -0.584 108.323 108.800 0.178 0.000 2.448 220 G HA2 0.095 4.070 3.960 0.024 0.000 0.218 220 G HA3 0.095 4.070 3.960 0.024 0.000 0.218 220 G C 1.264 176.247 174.900 0.137 0.000 1.135 220 G CA 0.942 46.121 45.100 0.132 0.000 0.784 220 G HN 0.686 nan 8.290 nan 0.000 0.543 221 A N 0.225 123.134 122.820 0.149 0.000 2.168 221 A HA 0.130 4.465 4.320 0.024 0.000 0.215 221 A C 2.368 180.040 177.584 0.148 0.000 1.152 221 A CA 1.902 54.026 52.037 0.145 0.000 0.716 221 A CB -0.500 18.570 19.000 0.117 0.000 0.794 221 A HN 0.240 nan 8.150 nan 0.000 0.465 222 T N -0.186 114.447 114.554 0.132 0.000 2.867 222 T HA -0.103 4.262 4.350 0.024 0.000 0.268 222 T C 1.986 176.786 174.700 0.166 0.000 1.057 222 T CA 1.844 64.034 62.100 0.149 0.000 1.136 222 T CB -0.363 68.576 68.868 0.117 0.000 0.874 222 T HN 0.547 nan 8.240 nan 0.000 0.466 223 T N 2.241 116.861 114.554 0.110 0.000 2.684 223 T HA -0.148 4.216 4.350 0.024 0.000 0.267 223 T C 2.445 177.218 174.700 0.122 0.000 1.036 223 T CA 1.816 63.961 62.100 0.073 0.000 1.148 223 T CB -0.450 68.430 68.868 0.021 0.000 0.863 223 T HN 0.625 nan 8.240 nan 0.000 0.436 224 S N 1.429 117.211 115.700 0.137 0.000 2.436 224 S HA 0.037 4.521 4.470 0.024 0.000 0.228 224 S C 2.008 176.681 174.600 0.122 0.000 1.014 224 S CA 0.203 58.451 58.200 0.080 0.000 0.950 224 S CB -0.242 62.963 63.200 0.009 0.000 0.784 224 S HN 0.421 nan 8.310 nan 0.000 0.504 225 R N 0.240 120.837 120.500 0.161 0.000 2.070 225 R HA -0.062 4.293 4.340 0.024 0.000 0.232 225 R C 2.176 178.572 176.300 0.159 0.000 1.138 225 R CA 1.533 57.717 56.100 0.141 0.000 0.936 225 R CB -0.667 29.718 30.300 0.142 0.000 0.839 225 R HN 0.573 nan 8.270 nan 0.000 0.429 226 W N 1.983 123.294 121.300 0.019 0.000 2.301 226 W HA -0.291 4.384 4.660 0.024 0.000 0.325 226 W C 2.323 178.839 176.519 -0.006 0.000 1.250 226 W CA 2.142 59.490 57.345 0.005 0.000 1.261 226 W CB -0.862 28.597 29.460 -0.001 0.000 1.157 226 W HN 0.128 nan 8.180 nan 0.000 0.473 227 S N 0.734 116.646 115.700 0.353 0.000 2.378 227 S HA -0.294 4.190 4.470 0.024 0.000 0.229 227 S C 2.089 176.739 174.600 0.084 0.000 1.052 227 S CA 3.046 61.359 58.200 0.188 0.000 1.084 227 S CB -0.832 62.432 63.200 0.107 0.000 0.950 227 S HN 0.326 nan 8.310 nan 0.000 0.440 228 A N 1.463 124.322 122.820 0.066 0.000 1.930 228 A HA 0.057 4.391 4.320 0.024 0.000 0.217 228 A C 2.316 179.908 177.584 0.012 0.000 1.175 228 A CA 1.635 53.697 52.037 0.041 0.000 0.627 228 A CB -0.554 18.473 19.000 0.045 0.000 0.815 228 A HN 0.583 nan 8.150 nan 0.000 0.443 229 M N -0.485 119.095 119.600 -0.034 0.000 2.080 229 M HA -0.145 4.350 4.480 0.024 0.000 0.260 229 M C 2.065 178.302 176.300 -0.104 0.000 1.068 229 M CA 1.345 56.590 55.300 -0.091 0.000 1.109 229 M CB -1.406 31.080 32.600 -0.190 0.000 1.342 229 M HN 0.366 nan 8.290 nan 0.000 0.405 230 Q N -0.099 119.628 119.800 -0.122 0.000 2.212 230 Q HA 0.148 4.503 4.340 0.024 0.000 0.199 230 Q C 2.274 178.250 176.000 -0.041 0.000 0.950 230 Q CA 0.822 56.560 55.803 -0.108 0.000 0.863 230 Q CB -0.393 28.271 28.738 -0.124 0.000 0.944 230 Q HN 0.550 nan 8.270 nan 0.000 0.465 231 I N 0.550 121.130 120.570 0.018 0.000 2.151 231 I HA -0.282 3.902 4.170 0.024 0.000 0.243 231 I C 2.231 178.393 176.117 0.075 0.000 1.080 231 I CA 1.580 62.944 61.300 0.107 0.000 1.339 231 I CB -0.663 37.404 38.000 0.112 0.000 1.039 231 I HN 0.245 nan 8.210 nan 0.000 0.409 232 G N 0.536 109.348 108.800 0.020 0.000 2.421 232 G HA2 -0.227 3.747 3.960 0.024 0.000 0.216 232 G HA3 -0.227 3.747 3.960 0.024 0.000 0.216 232 G C 1.622 176.494 174.900 -0.046 0.000 1.171 232 G CA 0.507 45.600 45.100 -0.011 0.000 0.775 232 G HN 0.114 nan 8.290 nan 0.000 0.543 233 M N 1.352 120.927 119.600 -0.042 0.000 2.108 233 M HA -0.035 4.459 4.480 0.024 0.000 0.261 233 M C 2.708 178.983 176.300 -0.041 0.000 1.066 233 M CA 1.214 56.485 55.300 -0.048 0.000 1.107 233 M CB -1.240 31.322 32.600 -0.063 0.000 1.356 233 M HN 0.185 nan 8.290 nan 0.000 0.406 234 S N -0.181 115.504 115.700 -0.025 0.000 2.414 234 S HA 0.014 4.498 4.470 0.024 0.000 0.227 234 S C 1.930 176.613 174.600 0.138 0.000 1.022 234 S CA 0.781 58.960 58.200 -0.035 0.000 0.958 234 S CB -0.028 63.041 63.200 -0.218 0.000 0.797 234 S HN 0.352 nan 8.310 nan 0.000 0.493 235 M N 1.196 120.882 119.600 0.143 0.000 2.132 235 M HA 0.048 4.542 4.480 0.024 0.000 0.263 235 M C 2.023 178.276 176.300 -0.079 0.000 1.065 235 M CA 1.253 56.543 55.300 -0.018 0.000 1.122 235 M CB -1.213 31.056 32.600 -0.552 0.000 1.365 235 M HN 0.294 nan 8.290 nan 0.000 0.411 236 I N -0.706 119.794 120.570 -0.117 0.000 2.127 236 I HA -0.346 3.839 4.170 0.024 0.000 0.241 236 I C 2.744 178.855 176.117 -0.010 0.000 1.075 236 I CA 1.631 62.896 61.300 -0.058 0.000 1.334 236 I CB -0.522 37.451 38.000 -0.045 0.000 1.040 236 I HN 0.315 nan 8.210 nan 0.000 0.405 237 S N 0.348 116.036 115.700 -0.021 0.000 2.345 237 S HA -0.118 4.366 4.470 0.024 0.000 0.220 237 S C 2.178 176.758 174.600 -0.033 0.000 1.031 237 S CA 1.303 59.484 58.200 -0.031 0.000 0.996 237 S CB -0.249 62.913 63.200 -0.063 0.000 0.882 237 S HN 0.445 nan 8.310 nan 0.000 0.445 238 A N -0.667 122.106 122.820 -0.078 0.000 2.015 238 A HA 0.090 4.425 4.320 0.024 0.000 0.219 238 A C 1.454 178.855 177.584 -0.304 0.000 1.163 238 A CA 1.117 53.050 52.037 -0.174 0.000 0.646 238 A CB -0.618 18.228 19.000 -0.257 0.000 0.806 238 A HN 0.737 nan 8.150 nan 0.000 0.448 239 Y N -1.232 119.083 120.300 0.025 0.000 2.584 239 Y HA 0.249 4.813 4.550 0.024 0.000 0.254 239 Y C 0.277 176.180 175.900 0.005 0.000 1.177 239 Y CA -0.298 57.807 58.100 0.008 0.000 1.216 239 Y CB 0.286 38.725 38.460 -0.035 0.000 1.172 239 Y HN 0.224 nan 8.280 nan 0.000 0.529 240 K N 1.072 121.522 120.400 0.084 0.000 3.096 240 K HA -0.256 4.079 4.320 0.024 0.000 0.266 240 K C -0.475 176.167 176.600 0.069 0.000 1.043 240 K CA 0.396 56.718 56.287 0.058 0.000 0.758 240 K CB -1.417 31.108 32.500 0.043 0.000 1.260 240 K HN 0.561 nan 8.250 nan 0.000 0.481 241 Q N 0.011 119.852 119.800 0.069 0.000 2.443 241 Q HA 0.431 4.786 4.340 0.024 0.000 0.232 241 Q C 0.656 176.682 176.000 0.044 0.000 1.026 241 Q CA -0.031 55.811 55.803 0.065 0.000 0.924 241 Q CB 0.601 29.374 28.738 0.059 0.000 1.256 241 Q HN 0.402 nan 8.270 nan 0.000 0.519 242 A N 0.834 123.680 122.820 0.044 0.000 2.547 242 A HA 0.261 4.595 4.320 0.024 0.000 0.233 242 A C 0.084 177.685 177.584 0.028 0.000 1.067 242 A CA 0.440 52.496 52.037 0.032 0.000 0.763 242 A CB -0.052 18.966 19.000 0.031 0.000 1.007 242 A HN 0.747 nan 8.150 nan 0.000 0.506 243 A N 1.789 124.620 122.820 0.019 0.000 3.004 243 A HA 0.544 4.879 4.320 0.024 0.000 0.286 243 A C 1.008 178.601 177.584 0.016 0.000 1.632 243 A CA 0.372 52.417 52.037 0.012 0.000 1.339 243 A CB -1.359 17.644 19.000 0.005 0.000 1.136 243 A HN 2.675 nan 8.150 nan 0.000 0.577 244 G N 1.572 110.389 108.800 0.028 0.000 2.857 244 G HA2 0.013 3.988 3.960 0.024 0.000 0.166 244 G HA3 0.013 3.988 3.960 0.024 0.000 0.166 244 G C -0.562 174.359 174.900 0.035 0.000 1.060 244 G CA -0.133 44.986 45.100 0.031 0.000 0.976 244 G HN 1.007 nan 8.290 nan 0.000 0.549 245 E N -0.327 119.904 120.200 0.051 0.000 2.303 245 E HA 0.825 5.189 4.350 0.024 0.000 0.254 245 E C 1.589 178.218 176.600 0.048 0.000 0.979 245 E CA -0.456 55.971 56.400 0.045 0.000 0.843 245 E CB 1.132 30.861 29.700 0.049 0.000 1.245 245 E HN 0.737 nan 8.360 nan 0.000 0.413 246 A N 0.719 123.557 122.820 0.030 0.000 1.940 246 A HA -0.195 4.139 4.320 0.024 0.000 0.219 246 A C 2.237 179.835 177.584 0.022 0.000 1.176 246 A CA 2.292 54.338 52.037 0.016 0.000 0.631 246 A CB -1.256 17.742 19.000 -0.004 0.000 0.814 246 A HN 0.694 nan 8.150 nan 0.000 0.446 247 A N -1.095 121.750 122.820 0.042 0.000 2.015 247 A HA -0.016 4.319 4.320 0.024 0.000 0.219 247 A C 2.186 179.856 177.584 0.143 0.000 1.163 247 A CA 2.005 54.063 52.037 0.035 0.000 0.646 247 A CB -1.145 17.897 19.000 0.069 0.000 0.806 247 A HN 0.449 nan 8.150 nan 0.000 0.448 248 T N 0.025 114.712 114.554 0.223 0.000 2.737 248 T HA -0.130 4.235 4.350 0.024 0.000 0.269 248 T C 1.924 176.765 174.700 0.234 0.000 1.040 248 T CA 1.505 63.788 62.100 0.305 0.000 1.142 248 T CB -0.591 68.368 68.868 0.152 0.000 0.861 248 T HN 0.596 nan 8.240 nan 0.000 0.456 249 G N 1.432 110.299 108.800 0.112 0.000 2.432 249 G HA2 -0.217 3.758 3.960 0.024 0.000 0.219 249 G HA3 -0.217 3.758 3.960 0.024 0.000 0.219 249 G C 1.271 176.206 174.900 0.058 0.000 1.135 249 G CA 0.828 45.974 45.100 0.075 0.000 0.767 249 G HN 0.386 nan 8.290 nan 0.000 0.550 250 D N 0.536 120.913 120.400 -0.038 0.000 2.117 250 D HA -0.068 4.586 4.640 0.024 0.000 0.197 250 D C 2.151 178.381 176.300 -0.118 0.000 0.987 250 D CA 0.587 54.505 54.000 -0.137 0.000 0.829 250 D CB -0.389 40.208 40.800 -0.338 0.000 0.961 250 D HN 0.407 nan 8.370 nan 0.000 0.460 251 F N 1.440 121.402 119.950 0.020 0.000 2.134 251 F HA -0.093 4.448 4.527 0.024 0.000 0.299 251 F C 2.531 178.346 175.800 0.025 0.000 1.097 251 F CA 0.887 58.890 58.000 0.004 0.000 1.264 251 F CB -0.555 38.438 39.000 -0.012 0.000 1.001 251 F HN -0.084 nan 8.300 nan 0.000 0.479 252 A N -0.558 122.396 122.820 0.223 0.000 1.883 252 A HA -0.281 4.054 4.320 0.024 0.000 0.217 252 A C 2.057 179.716 177.584 0.126 0.000 1.186 252 A CA 1.760 53.886 52.037 0.149 0.000 0.624 252 A CB -1.442 17.637 19.000 0.131 0.000 0.822 252 A HN 0.509 nan 8.150 nan 0.000 0.444 253 Y N 0.442 120.753 120.300 0.019 0.000 2.242 253 Y HA 0.029 4.594 4.550 0.024 0.000 0.291 253 Y C 2.587 178.489 175.900 0.003 0.000 1.137 253 Y CA 0.917 59.017 58.100 0.000 0.000 1.181 253 Y CB -0.414 38.024 38.460 -0.037 0.000 0.989 253 Y HN 0.310 nan 8.280 nan 0.000 0.527 254 A N 0.380 123.207 122.820 0.013 0.000 1.873 254 A HA -0.086 4.248 4.320 0.024 0.000 0.215 254 A C 2.388 179.946 177.584 -0.043 0.000 1.186 254 A CA 1.856 53.882 52.037 -0.018 0.000 0.616 254 A CB -1.424 17.601 19.000 0.041 0.000 0.823 254 A HN 0.551 nan 8.150 nan 0.000 0.442 255 A N -0.705 122.113 122.820 -0.004 0.000 1.968 255 A HA 0.069 4.403 4.320 0.024 0.000 0.217 255 A C 1.445 179.012 177.584 -0.027 0.000 1.169 255 A CA 1.072 53.106 52.037 -0.005 0.000 0.638 255 A CB -0.117 18.905 19.000 0.036 0.000 0.812 255 A HN 0.534 nan 8.150 nan 0.000 0.446 259 E N 0.080 120.326 120.200 0.076 0.000 3.191 259 E HA 0.483 4.847 4.350 0.024 0.000 0.192 259 E C -0.700 175.956 176.600 0.094 0.000 0.972 259 E CA -0.160 56.283 56.400 0.071 0.000 1.266 259 E CB 0.657 30.269 29.700 -0.147 0.000 1.076 259 E HN 0.302 nan 8.360 nan 0.000 0.462 260 V N 1.848 121.798 119.914 0.061 0.000 2.472 260 V HA 0.372 4.507 4.120 0.024 0.000 0.290 260 V C -0.784 175.332 176.094 0.036 0.000 1.037 260 V CA -0.818 61.488 62.300 0.010 0.000 0.908 260 V CB 1.293 33.056 31.823 -0.099 0.000 0.985 260 V HN 0.301 nan 8.190 nan 0.000 0.454 261 I N 6.868 127.441 120.570 0.004 0.000 2.405 261 I HA 0.420 4.605 4.170 0.024 0.000 0.280 261 I C 0.333 176.453 176.117 0.006 0.000 1.027 261 I CA -0.487 60.826 61.300 0.021 0.000 1.161 261 I CB 0.422 38.390 38.000 -0.052 0.000 1.300 261 I HN 0.608 nan 8.210 nan 0.000 0.463 262 H N 5.405 124.542 119.070 0.113 0.000 2.771 262 H HA 0.201 4.772 4.556 0.024 0.000 0.364 262 H C 0.998 176.448 175.328 0.203 0.000 1.133 262 H CA -0.009 56.115 56.048 0.127 0.000 1.423 262 H CB 1.591 31.419 29.762 0.110 0.000 1.425 262 H HN 0.413 nan 8.280 nan 0.000 0.606 263 M N 1.124 120.906 119.600 0.304 0.000 2.236 263 M HA 0.051 4.546 4.480 0.024 0.000 0.266 263 M C 1.169 177.639 176.300 0.283 0.000 1.070 263 M CA 0.762 56.255 55.300 0.322 0.000 1.137 263 M CB -0.317 32.424 32.600 0.235 0.000 1.378 263 M HN 0.598 nan 8.290 nan 0.000 0.426 264 G N 0.178 109.095 108.800 0.194 0.000 2.591 264 G HA2 0.523 4.497 3.960 0.024 0.000 0.306 264 G HA3 0.523 4.497 3.960 0.024 0.000 0.306 264 G C -0.570 174.328 174.900 -0.003 0.000 1.334 264 G CA -0.479 44.647 45.100 0.044 0.000 0.981 264 G HN 0.237 nan 8.290 nan 0.000 0.491 265 T N -1.108 113.381 114.554 -0.109 0.000 2.902 265 T HA 0.575 4.940 4.350 0.024 0.000 0.280 265 T C 0.334 174.934 174.700 -0.167 0.000 0.992 265 T CA -0.598 61.403 62.100 -0.166 0.000 1.015 265 T CB 0.979 69.702 68.868 -0.242 0.000 1.044 265 T HN 0.711 nan 8.240 nan 0.000 0.520 266 Y N 0.105 120.340 120.300 -0.108 0.000 2.296 266 Y HA 0.669 5.234 4.550 0.025 0.000 0.343 266 Y C -0.522 175.351 175.900 -0.044 0.000 1.292 266 Y CA -1.551 56.510 58.100 -0.065 0.000 1.490 266 Y CB 0.137 38.566 38.460 -0.052 0.000 1.359 266 Y HN 0.550 nan 8.280 nan 0.000 0.599 267 L N 2.862 124.192 121.223 0.178 0.000 2.319 267 L HA 0.540 4.894 4.340 0.024 0.000 0.267 267 L C -2.065 174.914 176.870 0.181 0.000 1.011 267 L CA -2.355 52.539 54.840 0.089 0.000 0.818 267 L CB 2.114 44.246 42.059 0.122 0.000 1.316 267 L HN 0.586 nan 8.230 nan 0.000 0.432 268 P HA 0.085 nan 4.420 nan 0.000 0.274 268 P C 0.820 178.179 177.300 0.098 0.000 1.256 268 P CA -0.443 62.720 63.100 0.106 0.000 0.795 268 P CB 1.152 32.878 31.700 0.043 0.000 1.038 269 V N -0.311 119.650 119.914 0.078 0.000 2.392 269 V HA -0.188 3.947 4.120 0.024 0.000 0.249 269 V C 1.997 178.126 176.094 0.058 0.000 1.059 269 V CA 1.567 63.906 62.300 0.065 0.000 1.051 269 V CB -0.973 30.878 31.823 0.045 0.000 0.658 269 V HN 0.612 nan 8.190 nan 0.000 0.455 273 R N 0.406 121.024 120.500 0.197 0.000 2.739 273 R HA 0.701 5.055 4.340 0.024 0.000 0.271 273 R C 0.665 177.077 176.300 0.186 0.000 1.010 273 R CA 0.175 56.404 56.100 0.215 0.000 0.897 273 R CB 1.998 32.464 30.300 0.278 0.000 1.236 273 R HN 1.209 nan 8.270 nan 0.000 0.466 274 G N 0.410 109.309 108.800 0.165 0.000 2.509 274 G HA2 0.276 4.251 3.960 0.024 0.000 0.269 274 G HA3 0.276 4.251 3.960 0.024 0.000 0.269 274 G C -0.690 174.290 174.900 0.133 0.000 1.416 274 G CA -0.399 44.785 45.100 0.139 0.000 1.052 274 G HN 0.473 nan 8.290 nan 0.000 0.542 275 E N -0.651 119.594 120.200 0.076 0.000 2.425 275 E HA 0.167 4.531 4.350 0.024 0.000 0.258 275 E C 0.275 176.949 176.600 0.123 0.000 1.151 275 E CA 0.313 56.724 56.400 0.018 0.000 0.958 275 E CB 0.162 29.730 29.700 -0.221 0.000 0.968 275 E HN 0.415 nan 8.360 nan 0.000 0.451 276 N N 0.772 119.561 118.700 0.147 0.000 2.735 276 N HA -0.162 4.592 4.740 0.024 0.000 0.248 276 N C -1.361 174.328 175.510 0.297 0.000 1.083 276 N CA 0.848 54.020 53.050 0.203 0.000 0.703 276 N CB -0.661 37.932 38.487 0.176 0.000 1.005 276 N HN 0.337 nan 8.380 nan 0.000 0.550 277 E N -1.270 119.051 120.200 0.202 0.000 2.235 277 E HA 0.339 4.703 4.350 0.024 0.000 0.265 277 E C -1.562 174.844 176.600 -0.322 0.000 0.940 277 E CA -1.832 54.636 56.400 0.114 0.000 0.819 277 E CB 0.855 30.581 29.700 0.044 0.000 1.206 277 E HN -0.064 nan 8.360 nan 0.000 0.409 278 P HA -0.147 nan 4.420 nan 0.000 0.216 278 P C 1.231 177.830 177.300 -1.169 0.000 1.150 278 P CA 1.544 63.994 63.100 -1.084 0.000 0.843 278 P CB 0.190 31.119 31.700 -1.286 0.000 0.787 279 G N -0.681 106.952 108.800 -1.946 0.000 2.471 279 G HA2 -0.125 3.850 3.960 0.024 0.000 0.219 279 G HA3 -0.125 3.850 3.960 0.024 0.000 0.219 279 G C 1.612 176.152 174.900 -0.601 0.000 1.125 279 G CA 0.718 44.969 45.100 -1.414 0.000 0.775 279 G HN 0.407 nan 8.290 nan 0.000 0.548 280 G N -0.256 108.268 108.800 -0.459 0.000 2.813 280 G HA2 0.223 4.197 3.960 0.024 0.000 0.209 280 G HA3 0.223 4.197 3.960 0.024 0.000 0.209 280 G C 0.350 175.101 174.900 -0.248 0.000 1.150 280 G CA -0.016 44.913 45.100 -0.285 0.000 0.785 280 G HN 0.245 nan 8.290 nan 0.000 0.535 281 V N 3.951 123.742 119.914 -0.204 0.000 2.405 281 V HA 0.189 4.323 4.120 0.024 0.000 0.264 281 V C -1.581 174.413 176.094 -0.166 0.000 1.048 281 V CA -1.704 60.538 62.300 -0.096 0.000 0.966 281 V CB 1.153 33.008 31.823 0.052 0.000 1.015 281 V HN 0.136 nan 8.190 nan 0.000 0.477 282 P HA 0.104 nan 4.420 nan 0.000 0.269 282 P C 0.863 178.096 177.300 -0.111 0.000 1.215 282 P CA -0.025 62.857 63.100 -0.362 0.000 0.780 282 P CB 0.709 32.200 31.700 -0.349 0.000 0.898 283 F N 1.153 121.104 119.950 0.001 0.000 2.120 283 F HA -0.200 4.342 4.527 0.025 0.000 0.300 283 F C 2.726 178.597 175.800 0.118 0.000 1.095 283 F CA 1.451 59.497 58.000 0.076 0.000 1.249 283 F CB -1.203 37.792 39.000 -0.008 0.000 0.995 283 F HN 0.402 nan 8.300 nan 0.000 0.480 284 G N -1.138 107.812 108.800 0.250 0.000 2.432 284 G HA2 -0.241 3.733 3.960 0.024 0.000 0.219 284 G HA3 -0.241 3.733 3.960 0.024 0.000 0.219 284 G C 1.398 176.612 174.900 0.523 0.000 1.135 284 G CA 0.503 45.809 45.100 0.344 0.000 0.767 284 G HN 0.416 nan 8.290 nan 0.000 0.550 285 Y N -0.577 119.900 120.300 0.295 0.000 2.263 285 Y HA 0.005 4.570 4.550 0.024 0.000 0.292 285 Y C 2.721 178.650 175.900 0.048 0.000 1.130 285 Y CA -0.133 58.051 58.100 0.140 0.000 1.179 285 Y CB 0.033 38.545 38.460 0.086 0.000 0.998 285 Y HN 0.086 nan 8.280 nan 0.000 0.532 286 L N 0.439 121.824 121.223 0.270 0.000 2.046 286 L HA -0.218 4.136 4.340 0.024 0.000 0.208 286 L C 2.409 179.335 176.870 0.093 0.000 1.077 286 L CA 2.126 57.040 54.840 0.123 0.000 0.747 286 L CB -1.287 40.886 42.059 0.190 0.000 0.896 286 L HN 0.213 nan 8.230 nan 0.000 0.432 287 A N -0.476 122.441 122.820 0.162 0.000 1.940 287 A HA -0.233 4.102 4.320 0.024 0.000 0.219 287 A C 1.913 179.556 177.584 0.099 0.000 1.176 287 A CA 1.905 54.021 52.037 0.132 0.000 0.631 287 A CB -0.540 18.556 19.000 0.161 0.000 0.814 287 A HN 0.508 nan 8.150 nan 0.000 0.446 288 D N -0.268 120.190 120.400 0.098 0.000 2.194 288 D HA -0.025 4.630 4.640 0.024 0.000 0.204 288 D C 1.889 178.161 176.300 -0.048 0.000 0.964 288 D CA 0.716 54.751 54.000 0.058 0.000 0.846 288 D CB -0.275 40.556 40.800 0.052 0.000 0.962 288 D HN 0.517 nan 8.370 nan 0.000 0.490 289 I N 0.845 121.291 120.570 -0.206 0.000 2.091 289 I HA -0.247 3.938 4.170 0.024 0.000 0.239 289 I C 1.526 177.446 176.117 -0.329 0.000 1.061 289 I CA 0.409 61.351 61.300 -0.597 0.000 1.317 289 I CB -0.273 37.202 38.000 -0.874 0.000 1.031 289 I HN 0.064 nan 8.210 nan 0.000 0.401 290 C N 2.935 122.192 119.300 -0.071 0.000 2.465 290 C HA -0.088 4.387 4.460 0.024 0.000 0.402 290 C C 1.585 176.656 174.990 0.134 0.000 1.448 290 C CA 0.063 59.156 59.018 0.125 0.000 1.589 290 C CB -0.131 27.674 27.740 0.108 0.000 2.535 290 C HN 0.428 nan 8.230 nan 0.000 0.600 291 Q N 3.326 123.242 119.800 0.194 0.000 2.198 291 Q HA 0.028 4.383 4.340 0.024 0.000 0.209 291 Q C 2.019 178.088 176.000 0.115 0.000 0.848 291 Q CA 0.263 56.155 55.803 0.149 0.000 0.974 291 Q CB 0.283 29.112 28.738 0.152 0.000 1.115 291 Q HN 0.941 nan 8.270 nan 0.000 0.494 292 S N 1.414 117.182 115.700 0.114 0.000 2.387 292 S HA -0.187 4.297 4.470 0.024 0.000 0.230 292 S C 2.064 176.732 174.600 0.114 0.000 1.035 292 S CA 1.862 60.117 58.200 0.091 0.000 1.014 292 S CB 0.076 63.322 63.200 0.076 0.000 0.836 292 S HN 0.607 nan 8.310 nan 0.000 0.466 293 S N 2.440 118.226 115.700 0.142 0.000 2.387 293 S HA -0.246 4.239 4.470 0.024 0.000 0.230 293 S C 1.831 176.575 174.600 0.239 0.000 1.035 293 S CA 1.442 59.752 58.200 0.185 0.000 1.014 293 S CB -0.775 62.540 63.200 0.193 0.000 0.836 293 S HN 0.872 nan 8.310 nan 0.000 0.466 294 R N 1.138 121.752 120.500 0.189 0.000 2.276 294 R HA 0.227 4.582 4.340 0.024 0.000 0.196 294 R C 1.809 178.248 176.300 0.232 0.000 0.961 294 R CA 0.872 57.071 56.100 0.165 0.000 1.024 294 R CB -0.371 29.831 30.300 -0.164 0.000 0.940 294 R HN 0.548 nan 8.270 nan 0.000 0.480 295 V N -3.407 116.615 119.914 0.181 0.000 3.570 295 V HA 0.280 4.414 4.120 0.024 0.000 0.257 295 V C 0.524 176.622 176.094 0.007 0.000 1.272 295 V CA -0.081 62.297 62.300 0.129 0.000 1.079 295 V CB 0.187 32.034 31.823 0.040 0.000 0.829 295 V HN 0.147 nan 8.190 nan 0.000 0.454 296 N N 0.642 119.353 118.700 0.018 0.000 2.389 296 N HA 0.221 4.975 4.740 0.024 0.000 0.260 296 N C 1.015 176.469 175.510 -0.094 0.000 1.191 296 N CA 0.237 53.236 53.050 -0.084 0.000 0.885 296 N CB 0.299 38.780 38.487 -0.010 0.000 1.162 296 N HN 0.830 nan 8.380 nan 0.000 0.512 297 Y N 0.074 120.395 120.300 0.034 0.000 2.403 297 Y HA 0.100 4.664 4.550 0.024 0.000 0.291 297 Y C 1.531 177.442 175.900 0.019 0.000 1.143 297 Y CA 0.649 58.771 58.100 0.036 0.000 1.257 297 Y CB -0.374 38.117 38.460 0.052 0.000 0.984 297 Y HN -0.008 nan 8.280 nan 0.000 0.550 298 E N 0.077 120.119 120.200 -0.264 0.000 2.502 298 E HA -0.079 4.285 4.350 0.024 0.000 0.194 298 E C -0.162 176.396 176.600 -0.070 0.000 1.062 298 E CA 0.400 56.732 56.400 -0.114 0.000 0.867 298 E CB 0.137 29.732 29.700 -0.175 0.000 0.888 298 E HN 0.310 nan 8.360 nan 0.000 0.510 299 D N -0.200 120.162 120.400 -0.064 0.000 2.375 299 D HA 0.084 4.739 4.640 0.024 0.000 0.259 299 D C -1.996 174.268 176.300 -0.060 0.000 1.235 299 D CA -2.235 51.744 54.000 -0.034 0.000 0.924 299 D CB 1.294 42.105 40.800 0.018 0.000 1.143 299 D HN -0.164 nan 8.370 nan 0.000 0.529 300 P HA -0.106 nan 4.420 nan 0.000 0.219 300 P C 1.628 178.817 177.300 -0.185 0.000 1.150 300 P CA 0.347 63.327 63.100 -0.201 0.000 0.814 300 P CB 0.705 32.155 31.700 -0.417 0.000 0.787 301 V N 1.144 120.881 119.914 -0.295 0.000 2.261 301 V HA -0.234 3.900 4.120 0.024 0.000 0.246 301 V C 2.914 178.941 176.094 -0.112 0.000 1.047 301 V CA 2.212 64.369 62.300 -0.238 0.000 1.015 301 V CB -1.226 30.109 31.823 -0.813 0.000 0.642 301 V HN 0.067 nan 8.190 nan 0.000 0.446 302 R N 0.691 121.153 120.500 -0.064 0.000 2.083 302 R HA -0.144 4.210 4.340 0.024 0.000 0.237 302 R C 2.024 178.349 176.300 0.041 0.000 1.137 302 R CA 2.118 58.238 56.100 0.034 0.000 0.951 302 R CB -1.315 29.032 30.300 0.078 0.000 0.851 302 R HN 0.341 nan 8.270 nan 0.000 0.434 303 V N 0.274 120.214 119.914 0.044 0.000 2.252 303 V HA -0.290 3.844 4.120 0.024 0.000 0.249 303 V C 2.275 178.424 176.094 0.091 0.000 1.056 303 V CA 2.393 64.737 62.300 0.074 0.000 1.022 303 V CB -0.760 31.116 31.823 0.088 0.000 0.641 303 V HN 0.413 nan 8.190 nan 0.000 0.445 304 S N -0.111 115.658 115.700 0.115 0.000 2.368 304 S HA -0.059 4.425 4.470 0.024 0.000 0.225 304 S C 1.852 176.508 174.600 0.094 0.000 1.030 304 S CA 1.410 59.689 58.200 0.133 0.000 0.999 304 S CB -0.311 63.019 63.200 0.217 0.000 0.844 304 S HN 0.466 nan 8.310 nan 0.000 0.459 305 L N 1.162 122.433 121.223 0.080 0.000 2.240 305 L HA -0.045 4.310 4.340 0.024 0.000 0.211 305 L C 1.902 178.815 176.870 0.072 0.000 1.106 305 L CA 0.772 55.657 54.840 0.075 0.000 0.793 305 L CB -0.673 41.427 42.059 0.067 0.000 0.927 305 L HN 0.183 nan 8.230 nan 0.000 0.446 306 D N 0.245 120.679 120.400 0.057 0.000 2.123 306 D HA -0.153 4.502 4.640 0.024 0.000 0.196 306 D C 2.337 178.661 176.300 0.040 0.000 0.992 306 D CA 1.078 55.097 54.000 0.031 0.000 0.833 306 D CB -0.093 40.725 40.800 0.030 0.000 0.954 306 D HN 0.071 nan 8.370 nan 0.000 0.455 307 V N 0.677 120.630 119.914 0.065 0.000 2.343 307 V HA -0.220 3.914 4.120 0.024 0.000 0.247 307 V C 2.687 178.823 176.094 0.069 0.000 1.051 307 V CA 1.037 63.380 62.300 0.071 0.000 1.036 307 V CB -0.480 31.394 31.823 0.086 0.000 0.654 307 V HN 0.060 nan 8.190 nan 0.000 0.451 308 V N 0.356 120.315 119.914 0.074 0.000 2.287 308 V HA -0.315 3.820 4.120 0.024 0.000 0.248 308 V C 2.711 178.885 176.094 0.134 0.000 1.053 308 V CA 2.206 64.558 62.300 0.086 0.000 1.027 308 V CB -1.205 30.671 31.823 0.089 0.000 0.646 308 V HN 0.579 nan 8.190 nan 0.000 0.447 309 A N -0.323 122.581 122.820 0.140 0.000 1.877 309 A HA -0.237 4.097 4.320 0.024 0.000 0.216 309 A C 2.404 180.085 177.584 0.162 0.000 1.186 309 A CA 2.542 54.687 52.037 0.181 0.000 0.620 309 A CB -1.072 17.952 19.000 0.040 0.000 0.822 309 A HN 0.513 nan 8.150 nan 0.000 0.443 310 T N -0.281 114.312 114.554 0.065 0.000 2.665 310 T HA -0.099 4.265 4.350 0.024 0.000 0.268 310 T C 1.909 176.614 174.700 0.008 0.000 1.035 310 T CA 1.730 63.864 62.100 0.055 0.000 1.151 310 T CB -0.633 68.251 68.868 0.027 0.000 0.862 310 T HN 0.591 nan 8.240 nan 0.000 0.438 311 G N 0.655 109.454 108.800 -0.002 0.000 2.396 311 G HA2 0.140 4.115 3.960 0.024 0.000 0.214 311 G HA3 0.140 4.115 3.960 0.024 0.000 0.214 311 G C 1.861 176.794 174.900 0.055 0.000 1.166 311 G CA 0.745 45.788 45.100 -0.094 0.000 0.793 311 G HN 0.563 nan 8.290 nan 0.000 0.533 312 A N 0.819 123.730 122.820 0.151 0.000 1.883 312 A HA -0.073 4.262 4.320 0.024 0.000 0.217 312 A C 2.328 180.025 177.584 0.188 0.000 1.186 312 A CA 2.198 54.358 52.037 0.205 0.000 0.624 312 A CB -0.470 18.691 19.000 0.269 0.000 0.822 312 A HN 0.338 nan 8.150 nan 0.000 0.444 313 M N -0.657 119.034 119.600 0.152 0.000 2.067 313 M HA -0.130 4.364 4.480 0.024 0.000 0.260 313 M C 2.161 178.430 176.300 -0.052 0.000 1.069 313 M CA 2.197 57.499 55.300 0.004 0.000 1.117 313 M CB -0.908 31.500 32.600 -0.321 0.000 1.334 313 M HN 0.400 nan 8.290 nan 0.000 0.407 314 L N 0.096 121.250 121.223 -0.115 0.000 1.994 314 L HA -0.208 4.146 4.340 0.024 0.000 0.208 314 L C 2.100 178.895 176.870 -0.125 0.000 1.071 314 L CA 2.018 56.721 54.840 -0.228 0.000 0.745 314 L CB -1.300 40.533 42.059 -0.377 0.000 0.892 314 L HN 0.387 nan 8.230 nan 0.000 0.431 315 Y N -0.917 119.390 120.300 0.011 0.000 2.263 315 Y HA -0.157 4.407 4.550 0.024 0.000 0.292 315 Y C 2.288 178.299 175.900 0.186 0.000 1.130 315 Y CA 0.582 58.750 58.100 0.113 0.000 1.179 315 Y CB -0.043 38.487 38.460 0.116 0.000 0.998 315 Y HN 0.263 nan 8.280 nan 0.000 0.532 316 D N -0.559 120.015 120.400 0.289 0.000 2.162 316 D HA -0.096 4.559 4.640 0.024 0.000 0.205 316 D C 1.944 178.392 176.300 0.246 0.000 0.964 316 D CA 1.062 55.214 54.000 0.253 0.000 0.847 316 D CB -0.169 40.750 40.800 0.199 0.000 0.988 316 D HN 0.405 nan 8.370 nan 0.000 0.480 317 Q N -0.084 119.794 119.800 0.129 0.000 2.061 317 Q HA 0.090 4.444 4.340 0.024 0.000 0.195 317 Q C 2.324 178.224 176.000 -0.168 0.000 0.967 317 Q CA 0.691 56.526 55.803 0.053 0.000 0.829 317 Q CB 0.386 29.147 28.738 0.039 0.000 0.900 317 Q HN 0.262 nan 8.270 nan 0.000 0.450 318 I N -0.367 120.005 120.570 -0.329 0.000 2.339 318 I HA -0.158 4.026 4.170 0.024 0.000 0.245 318 I C 2.188 178.224 176.117 -0.134 0.000 1.096 318 I CA 0.691 61.625 61.300 -0.610 0.000 1.408 318 I CB -0.264 37.382 38.000 -0.591 0.000 1.092 318 I HN 0.399 nan 8.210 nan 0.000 0.423 319 W N 1.871 123.029 121.300 -0.237 0.000 2.424 319 W HA -0.140 4.535 4.660 0.024 0.000 0.323 319 W C 2.136 178.665 176.519 0.017 0.000 1.175 319 W CA 1.141 58.389 57.345 -0.163 0.000 1.312 319 W CB -0.284 29.056 29.460 -0.200 0.000 1.186 319 W HN -0.020 nan 8.180 nan 0.000 0.463 320 L N 0.870 122.050 121.223 -0.071 0.000 2.109 320 L HA -0.030 4.324 4.340 0.024 0.000 0.207 320 L C 2.662 179.569 176.870 0.062 0.000 1.086 320 L CA 1.358 56.134 54.840 -0.108 0.000 0.760 320 L CB -1.353 40.798 42.059 0.153 0.000 0.910 320 L HN 0.161 nan 8.230 nan 0.000 0.437 321 G N -1.938 106.912 108.800 0.085 0.000 2.744 321 G HA2 -0.095 3.879 3.960 0.024 0.000 0.211 321 G HA3 -0.095 3.879 3.960 0.024 0.000 0.211 321 G C 1.481 176.243 174.900 -0.230 0.000 1.143 321 G CA 0.956 45.860 45.100 -0.327 0.000 0.788 321 G HN 0.344 nan 8.290 nan 0.000 0.534 322 S N -2.067 113.558 115.700 -0.125 0.000 3.792 322 S HA 0.118 4.602 4.470 0.024 0.000 0.229 322 S C 1.659 176.209 174.600 -0.084 0.000 1.118 322 S CA -0.125 58.044 58.200 -0.052 0.000 0.877 322 S CB -0.502 62.717 63.200 0.033 0.000 1.077 322 S HN 0.150 nan 8.310 nan 0.000 0.546 323 Y N 1.732 121.901 120.300 -0.219 0.000 2.165 323 Y HA 0.045 4.610 4.550 0.024 0.000 0.286 323 Y C 2.146 177.810 175.900 -0.393 0.000 1.155 323 Y CA 1.576 59.528 58.100 -0.247 0.000 1.164 323 Y CB 0.006 38.313 38.460 -0.254 0.000 0.978 323 Y HN 0.291 nan 8.280 nan 0.000 0.513 324 M N -1.373 117.996 119.600 -0.384 0.000 2.383 324 M HA 0.173 4.668 4.480 0.024 0.000 0.247 324 M C 0.840 177.032 176.300 -0.181 0.000 1.117 324 M CA 0.472 55.554 55.300 -0.363 0.000 0.995 324 M CB -0.442 31.816 32.600 -0.569 0.000 1.480 324 M HN 0.347 nan 8.290 nan 0.000 0.485 325 S N -1.284 114.324 115.700 -0.154 0.000 5.707 325 S HA 0.705 5.189 4.470 0.024 0.000 0.128 325 S C 0.638 175.159 174.600 -0.131 0.000 1.212 325 S CA 0.256 58.382 58.200 -0.124 0.000 1.212 325 S CB 0.853 63.976 63.200 -0.129 0.000 2.049 325 S HN 0.497 nan 8.310 nan 0.000 0.680 326 G N -0.103 108.583 108.800 -0.190 0.000 2.408 326 G HA2 0.477 4.451 3.960 0.024 0.000 0.682 326 G HA3 0.477 4.451 3.960 0.024 0.000 0.682 326 G C 0.543 175.382 174.900 -0.102 0.000 1.303 326 G CA 0.287 45.327 45.100 -0.100 0.000 0.966 326 G HN 2.490 nan 8.290 nan 0.000 0.560 327 G N -2.157 106.620 108.800 -0.038 0.000 2.508 327 G HA2 0.123 4.097 3.960 0.024 0.000 0.220 327 G HA3 0.123 4.097 3.960 0.024 0.000 0.220 327 G C 1.164 176.075 174.900 0.017 0.000 1.287 327 G CA 0.946 46.030 45.100 -0.027 0.000 0.916 327 G HN 1.988 nan 8.290 nan 0.000 0.574 328 V N 1.908 121.844 119.914 0.037 0.000 2.317 328 V HA 0.195 4.329 4.120 0.024 0.000 0.251 328 V C 2.768 178.979 176.094 0.195 0.000 1.065 328 V CA 3.702 66.083 62.300 0.135 0.000 1.049 328 V CB -1.556 30.329 31.823 0.103 0.000 0.651 328 V HN 2.822 nan 8.190 nan 0.000 0.450 329 G N -0.652 108.122 108.800 -0.042 0.000 2.512 329 G HA2 -0.249 3.725 3.960 0.024 0.000 0.240 329 G HA3 -0.249 3.725 3.960 0.024 0.000 0.240 329 G C -0.315 174.488 174.900 -0.162 0.000 1.246 329 G CA 0.136 45.032 45.100 -0.340 0.000 0.919 329 G HN 0.299 nan 8.290 nan 0.000 0.577 330 F N 1.639 121.635 119.950 0.076 0.000 2.818 330 F HA 0.419 4.961 4.527 0.025 0.000 0.369 330 F C 1.956 177.790 175.800 0.056 0.000 1.327 330 F CA 0.020 58.105 58.000 0.143 0.000 1.211 330 F CB 0.197 39.337 39.000 0.232 0.000 1.036 330 F HN 0.402 nan 8.300 nan 0.000 0.510 331 T N -0.867 113.740 114.554 0.089 0.000 2.674 331 T HA -0.220 4.145 4.350 0.024 0.000 0.265 331 T C 1.878 176.554 174.700 -0.040 0.000 1.039 331 T CA 1.753 63.853 62.100 -0.000 0.000 1.150 331 T CB -0.037 68.812 68.868 -0.031 0.000 0.864 331 T HN 0.367 nan 8.240 nan 0.000 0.427 332 Q N -0.652 119.103 119.800 -0.075 0.000 2.311 332 Q HA 0.024 4.379 4.340 0.024 0.000 0.203 332 Q C 1.904 177.791 176.000 -0.188 0.000 0.954 332 Q CA 0.627 56.306 55.803 -0.207 0.000 0.885 332 Q CB -0.200 28.445 28.738 -0.156 0.000 0.963 332 Q HN 0.528 nan 8.270 nan 0.000 0.471 333 Y N 0.589 120.837 120.300 -0.086 0.000 2.151 333 Y HA -0.281 4.283 4.550 0.024 0.000 0.284 333 Y C 2.347 178.192 175.900 -0.092 0.000 1.166 333 Y CA 1.263 59.301 58.100 -0.102 0.000 1.163 333 Y CB -0.596 37.808 38.460 -0.093 0.000 0.974 333 Y HN 0.169 nan 8.280 nan 0.000 0.511 334 A N -0.666 122.214 122.820 0.101 0.000 1.898 334 A HA -0.116 4.219 4.320 0.024 0.000 0.214 334 A C 2.310 179.726 177.584 -0.281 0.000 1.183 334 A CA 1.810 53.874 52.037 0.046 0.000 0.622 334 A CB -1.211 17.899 19.000 0.184 0.000 0.824 334 A HN 0.482 nan 8.150 nan 0.000 0.444 335 T N -1.851 112.357 114.554 -0.578 0.000 2.915 335 T HA 0.058 4.422 4.350 0.024 0.000 0.269 335 T C 1.879 176.154 174.700 -0.708 0.000 1.071 335 T CA 1.401 62.819 62.100 -1.136 0.000 1.132 335 T CB -0.541 67.768 68.868 -0.932 0.000 0.878 335 T HN 0.545 nan 8.240 nan 0.000 0.479 336 A N 1.922 124.511 122.820 -0.385 0.000 1.948 336 A HA 0.200 4.534 4.320 0.024 0.000 0.220 336 A C 2.652 180.151 177.584 -0.142 0.000 1.177 336 A CA 1.837 53.751 52.037 -0.205 0.000 0.636 336 A CB -1.219 17.703 19.000 -0.130 0.000 0.815 336 A HN 0.814 nan 8.150 nan 0.000 0.449 337 A N -1.753 120.998 122.820 -0.115 0.000 2.251 337 A HA 0.318 4.652 4.320 0.024 0.000 0.209 337 A C 1.179 178.832 177.584 0.115 0.000 1.187 337 A CA 1.000 53.048 52.037 0.019 0.000 0.823 337 A CB -0.358 18.699 19.000 0.095 0.000 0.846 337 A HN 1.140 nan 8.150 nan 0.000 0.486 338 Y N -1.820 118.505 120.300 0.041 0.000 2.779 338 Y HA 0.417 4.981 4.550 0.024 0.000 0.251 338 Y C 0.063 175.993 175.900 0.050 0.000 1.145 338 Y CA -0.530 57.612 58.100 0.070 0.000 1.201 338 Y CB -0.735 37.816 38.460 0.150 0.000 1.281 338 Y HN 0.081 nan 8.280 nan 0.000 0.563 339 T N -3.353 111.181 114.554 -0.034 0.000 2.906 339 T HA 0.536 4.900 4.350 0.024 0.000 0.295 339 T C -0.330 174.393 174.700 0.039 0.000 1.075 339 T CA -0.163 61.946 62.100 0.015 0.000 1.005 339 T CB 1.990 70.829 68.868 -0.048 0.000 1.136 339 T HN 0.085 nan 8.240 nan 0.000 0.498 340 D N 0.530 120.965 120.400 0.058 0.000 3.006 340 D HA -0.165 4.490 4.640 0.024 0.000 0.205 340 D C 0.335 176.694 176.300 0.099 0.000 1.075 340 D CA 1.297 55.346 54.000 0.082 0.000 1.000 340 D CB -1.510 39.356 40.800 0.111 0.000 1.097 340 D HN 0.825 nan 8.370 nan 0.000 0.426 341 N N -1.175 117.571 118.700 0.078 0.000 2.714 341 N HA -0.239 4.516 4.740 0.024 0.000 0.250 341 N C 1.094 176.668 175.510 0.108 0.000 1.117 341 N CA 1.274 54.384 53.050 0.100 0.000 0.719 341 N CB -1.456 37.090 38.487 0.099 0.000 1.081 341 N HN 0.494 nan 8.380 nan 0.000 0.557 342 I N -0.239 120.328 120.570 -0.004 0.000 2.296 342 I HA -0.160 4.025 4.170 0.024 0.000 0.242 342 I C 2.343 178.179 176.117 -0.468 0.000 1.087 342 I CA 0.539 61.690 61.300 -0.249 0.000 1.393 342 I CB -0.111 37.652 38.000 -0.395 0.000 1.093 342 I HN 0.093 nan 8.210 nan 0.000 0.421 343 L N 1.338 122.407 121.223 -0.257 0.000 2.042 343 L HA -0.256 4.098 4.340 0.024 0.000 0.210 343 L C 1.735 178.625 176.870 0.033 0.000 1.076 343 L CA 2.103 56.866 54.840 -0.128 0.000 0.749 343 L CB -0.869 41.189 42.059 -0.001 0.000 0.893 343 L HN 0.225 nan 8.230 nan 0.000 0.432 344 D N -0.668 119.789 120.400 0.094 0.000 2.116 344 D HA -0.252 4.402 4.640 0.024 0.000 0.193 344 D C 1.956 178.482 176.300 0.377 0.000 0.998 344 D CA 1.664 55.802 54.000 0.229 0.000 0.836 344 D CB -0.357 40.609 40.800 0.277 0.000 0.951 344 D HN 0.520 nan 8.370 nan 0.000 0.449 345 D N -0.338 120.250 120.400 0.314 0.000 2.117 345 D HA -0.144 4.511 4.640 0.024 0.000 0.197 345 D C 1.995 178.677 176.300 0.637 0.000 0.987 345 D CA 0.782 55.048 54.000 0.444 0.000 0.829 345 D CB -0.132 40.938 40.800 0.449 0.000 0.961 345 D HN 0.296 nan 8.370 nan 0.000 0.460 346 F N 0.717 120.901 119.950 0.390 0.000 2.134 346 F HA -0.137 4.406 4.527 0.027 0.000 0.299 346 F C 2.732 178.706 175.800 0.290 0.000 1.097 346 F CA 0.927 59.157 58.000 0.383 0.000 1.264 346 F CB -0.309 38.863 39.000 0.286 0.000 1.001 346 F HN -0.026 nan 8.300 nan 0.000 0.479 347 T N -1.121 113.671 114.554 0.397 0.000 2.904 347 T HA -0.160 4.205 4.350 0.024 0.000 0.267 347 T C 1.453 176.271 174.700 0.196 0.000 1.059 347 T CA 0.951 63.197 62.100 0.244 0.000 1.137 347 T CB -0.534 68.414 68.868 0.134 0.000 0.879 347 T HN 0.220 nan 8.240 nan 0.000 0.467 348 Y N 0.365 120.808 120.300 0.239 0.000 2.242 348 Y HA -0.030 4.533 4.550 0.023 0.000 0.291 348 Y C 2.090 178.058 175.900 0.113 0.000 1.137 348 Y CA 0.831 59.025 58.100 0.156 0.000 1.181 348 Y CB -0.417 38.114 38.460 0.118 0.000 0.989 348 Y HN 0.210 nan 8.280 nan 0.000 0.527 349 F N 0.375 120.404 119.950 0.131 0.000 2.069 349 F HA -0.148 4.391 4.527 0.020 0.000 0.298 349 F C 2.336 178.123 175.800 -0.021 0.000 1.113 349 F CA 1.848 59.775 58.000 -0.123 0.000 1.214 349 F CB -0.924 37.646 39.000 -0.716 0.000 0.978 349 F HN -0.038 nan 8.300 nan 0.000 0.474 350 G N 0.778 109.551 108.800 -0.045 0.000 2.440 350 G HA2 -0.336 3.638 3.960 0.024 0.000 0.218 350 G HA3 -0.336 3.638 3.960 0.024 0.000 0.218 350 G C 1.817 176.765 174.900 0.080 0.000 1.154 350 G CA 1.012 46.098 45.100 -0.023 0.000 0.767 350 G HN 0.363 nan 8.290 nan 0.000 0.552 351 K N 0.910 121.417 120.400 0.178 0.000 2.057 351 K HA -0.090 4.245 4.320 0.024 0.000 0.207 351 K C 2.314 178.939 176.600 0.042 0.000 1.049 351 K CA 1.672 58.062 56.287 0.171 0.000 0.931 351 K CB -0.304 32.205 32.500 0.014 0.000 0.714 351 K HN 0.441 nan 8.250 nan 0.000 0.440 352 E N -0.705 119.485 120.200 -0.017 0.000 2.072 352 E HA -0.198 4.167 4.350 0.024 0.000 0.191 352 E C 1.948 178.484 176.600 -0.107 0.000 0.985 352 E CA 1.217 57.581 56.400 -0.060 0.000 0.801 352 E CB -0.300 29.364 29.700 -0.060 0.000 0.750 352 E HN 0.323 nan 8.360 nan 0.000 0.452 353 Y N 1.259 121.342 120.300 -0.362 0.000 2.097 353 Y HA -0.298 4.259 4.550 0.013 0.000 0.282 353 Y C 2.147 177.983 175.900 -0.107 0.000 1.152 353 Y CA 1.435 59.347 58.100 -0.313 0.000 1.136 353 Y CB -0.456 37.709 38.460 -0.492 0.000 0.975 353 Y HN -0.173 nan 8.280 nan 0.000 0.498 354 V N 0.557 120.486 119.914 0.026 0.000 2.332 354 V HA -0.326 3.809 4.120 0.024 0.000 0.248 354 V C 2.354 178.466 176.094 0.029 0.000 1.055 354 V CA 2.326 64.686 62.300 0.101 0.000 1.038 354 V CB -0.752 31.209 31.823 0.230 0.000 0.651 354 V HN 0.491 nan 8.190 nan 0.000 0.450 355 E N -0.096 120.098 120.200 -0.010 0.000 2.051 355 E HA -0.250 4.115 4.350 0.024 0.000 0.192 355 E C 1.871 178.429 176.600 -0.069 0.000 0.991 355 E CA 1.632 58.016 56.400 -0.027 0.000 0.799 355 E CB -0.064 29.616 29.700 -0.034 0.000 0.748 355 E HN 0.603 nan 8.360 nan 0.000 0.449 356 D N -0.017 120.309 120.400 -0.123 0.000 2.117 356 D HA -0.138 4.516 4.640 0.024 0.000 0.198 356 D C 1.800 177.966 176.300 -0.224 0.000 0.982 356 D CA 1.059 54.968 54.000 -0.151 0.000 0.828 356 D CB -0.116 40.592 40.800 -0.153 0.000 0.967 356 D HN 0.133 nan 8.370 nan 0.000 0.464 357 K N -0.888 119.287 120.400 -0.374 0.000 2.021 357 K HA -0.077 4.257 4.320 0.024 0.000 0.205 357 K C 1.616 177.910 176.600 -0.509 0.000 1.047 357 K CA 0.962 56.918 56.287 -0.552 0.000 0.943 357 K CB 0.074 32.005 32.500 -0.948 0.000 0.725 357 K HN 0.147 nan 8.250 nan 0.000 0.439 358 Y N -0.835 119.374 120.300 -0.152 0.000 2.559 358 Y HA 0.307 4.876 4.550 0.032 0.000 0.279 358 Y C 0.567 176.430 175.900 -0.060 0.000 1.117 358 Y CA 0.200 58.249 58.100 -0.085 0.000 1.263 358 Y CB 1.212 39.636 38.460 -0.060 0.000 1.230 358 Y HN 0.245 nan 8.280 nan 0.000 0.528 359 G N 1.347 110.208 108.800 0.103 0.000 3.209 359 G HA2 -0.179 3.796 3.960 0.024 0.000 0.686 359 G HA3 -0.179 3.796 3.960 0.024 0.000 0.686 359 G C -0.747 174.197 174.900 0.073 0.000 1.065 359 G CA -0.918 44.218 45.100 0.060 0.000 0.812 359 G HN 0.176 nan 8.290 nan 0.000 0.573 360 L N 1.622 122.868 121.223 0.038 0.000 2.578 360 L HA 0.104 4.459 4.340 0.024 0.000 0.279 360 L C 1.985 178.869 176.870 0.024 0.000 1.227 360 L CA 0.649 55.509 54.840 0.033 0.000 0.900 360 L CB 0.125 42.175 42.059 -0.016 0.000 1.144 360 L HN 1.328 nan 8.230 nan 0.000 0.496 361 C N 1.228 120.540 119.300 0.020 0.000 4.320 361 C HA -0.130 4.344 4.460 0.024 0.000 0.281 361 C C 1.494 176.473 174.990 -0.018 0.000 1.432 361 C CA 0.537 59.551 59.018 -0.007 0.000 1.884 361 C CB -2.101 25.636 27.740 -0.006 0.000 1.378 361 C HN 0.892 nan 8.230 nan 0.000 0.771 362 E N -0.071 120.126 120.200 -0.006 0.000 2.498 362 E HA 0.394 4.758 4.350 0.024 0.000 0.203 362 E C 1.016 177.605 176.600 -0.018 0.000 1.013 362 E CA 0.782 57.188 56.400 0.010 0.000 0.927 362 E CB 0.320 30.050 29.700 0.050 0.000 1.012 362 E HN 0.823 nan 8.360 nan 0.000 0.482 363 A N 2.806 125.524 122.820 -0.169 0.000 2.351 363 A HA 0.389 4.724 4.320 0.024 0.000 0.257 363 A C -2.267 175.190 177.584 -0.211 0.000 1.087 363 A CA -1.127 50.664 52.037 -0.410 0.000 0.798 363 A CB -0.205 18.173 19.000 -1.037 0.000 1.033 363 A HN -0.155 nan 8.150 nan 0.000 0.488 364 P HA 0.008 nan 4.420 nan 0.000 0.264 364 P C -0.426 176.813 177.300 -0.101 0.000 1.183 364 P CA 0.212 63.263 63.100 -0.082 0.000 0.763 364 P CB 0.224 31.902 31.700 -0.036 0.000 0.807 365 N N 3.349 122.008 118.700 -0.070 0.000 2.895 365 N HA 0.062 4.817 4.740 0.024 0.000 0.277 365 N C -0.636 174.840 175.510 -0.056 0.000 1.185 365 N CA -0.159 52.856 53.050 -0.058 0.000 1.106 365 N CB -0.979 37.483 38.487 -0.041 0.000 1.422 365 N HN 0.382 nan 8.380 nan 0.000 0.521 366 N N 0.913 119.581 118.700 -0.054 0.000 3.039 366 N HA 0.157 4.911 4.740 0.024 0.000 0.257 366 N C 0.287 175.783 175.510 -0.024 0.000 1.497 366 N CA -0.755 52.259 53.050 -0.060 0.000 0.861 366 N CB 0.183 38.637 38.487 -0.055 0.000 1.479 366 N HN -0.041 nan 8.380 nan 0.000 0.547 367 M N 0.244 119.828 119.600 -0.027 0.000 2.202 367 M HA -0.009 4.485 4.480 0.024 0.000 0.262 367 M C 0.364 176.688 176.300 0.040 0.000 1.063 367 M CA 1.705 57.019 55.300 0.024 0.000 1.097 367 M CB -0.862 31.746 32.600 0.013 0.000 1.382 367 M HN 0.595 nan 8.290 nan 0.000 0.413 368 D N -0.796 119.623 120.400 0.031 0.000 2.104 368 D HA -0.153 4.501 4.640 0.024 0.000 0.194 368 D C 1.864 178.209 176.300 0.074 0.000 0.994 368 D CA 2.064 56.097 54.000 0.056 0.000 0.830 368 D CB -0.564 40.270 40.800 0.056 0.000 0.959 368 D HN 0.372 nan 8.370 nan 0.000 0.452 369 T N 0.492 115.065 114.554 0.033 0.000 2.746 369 T HA -0.092 4.273 4.350 0.024 0.000 0.267 369 T C 2.257 176.980 174.700 0.040 0.000 1.039 369 T CA 0.782 62.883 62.100 0.003 0.000 1.142 369 T CB -0.344 68.434 68.868 -0.150 0.000 0.866 369 T HN -0.031 nan 8.240 nan 0.000 0.444 370 V N 1.701 121.642 119.914 0.044 0.000 2.255 370 V HA -0.177 3.958 4.120 0.024 0.000 0.247 370 V C 2.512 178.642 176.094 0.060 0.000 1.051 370 V CA 1.673 64.009 62.300 0.061 0.000 1.018 370 V CB -0.781 31.102 31.823 0.099 0.000 0.641 370 V HN 0.431 nan 8.190 nan 0.000 0.445 371 L N 0.049 121.314 121.223 0.070 0.000 2.046 371 L HA -0.202 4.152 4.340 0.024 0.000 0.208 371 L C 2.423 179.329 176.870 0.061 0.000 1.077 371 L CA 2.001 56.877 54.840 0.060 0.000 0.747 371 L CB -0.726 41.375 42.059 0.070 0.000 0.896 371 L HN 0.440 nan 8.230 nan 0.000 0.432 372 D N 0.046 120.514 120.400 0.114 0.000 2.081 372 D HA -0.161 4.493 4.640 0.024 0.000 0.194 372 D C 2.071 178.459 176.300 0.148 0.000 0.986 372 D CA 1.730 55.834 54.000 0.173 0.000 0.837 372 D CB -0.102 40.872 40.800 0.290 0.000 0.985 372 D HN -0.001 nan 8.370 nan 0.000 0.448 373 V N 0.904 120.931 119.914 0.190 0.000 2.307 373 V HA -0.124 4.010 4.120 0.024 0.000 0.245 373 V C 2.650 178.750 176.094 0.010 0.000 1.045 373 V CA 1.859 64.264 62.300 0.176 0.000 1.024 373 V CB -1.065 30.880 31.823 0.203 0.000 0.651 373 V HN 0.379 nan 8.190 nan 0.000 0.449 374 A N -0.107 122.705 122.820 -0.013 0.000 1.902 374 A HA -0.224 4.111 4.320 0.024 0.000 0.217 374 A C 2.401 179.879 177.584 -0.176 0.000 1.181 374 A CA 2.555 54.550 52.037 -0.071 0.000 0.623 374 A CB -1.013 17.955 19.000 -0.052 0.000 0.818 374 A HN 0.508 nan 8.150 nan 0.000 0.443 375 T N -0.423 114.006 114.554 -0.210 0.000 2.674 375 T HA -0.159 4.206 4.350 0.024 0.000 0.265 375 T C 1.920 176.293 174.700 -0.545 0.000 1.039 375 T CA 1.769 63.593 62.100 -0.459 0.000 1.150 375 T CB -0.303 68.369 68.868 -0.326 0.000 0.864 375 T HN 0.631 nan 8.240 nan 0.000 0.427 376 E N 0.859 120.896 120.200 -0.272 0.000 2.070 376 E HA -0.127 4.237 4.350 0.024 0.000 0.197 376 E C 2.069 178.624 176.600 -0.076 0.000 1.004 376 E CA 1.230 57.512 56.400 -0.197 0.000 0.805 376 E CB -0.599 28.805 29.700 -0.492 0.000 0.744 376 E HN 0.295 nan 8.360 nan 0.000 0.451 377 V N 0.048 119.922 119.914 -0.067 0.000 2.453 377 V HA -0.205 3.929 4.120 0.024 0.000 0.247 377 V C 2.303 178.381 176.094 -0.028 0.000 1.048 377 V CA 2.003 64.355 62.300 0.086 0.000 1.049 377 V CB -0.784 31.093 31.823 0.090 0.000 0.672 377 V HN 0.342 nan 8.190 nan 0.000 0.457 378 T N 0.264 114.725 114.554 -0.156 0.000 2.684 378 T HA -0.191 4.173 4.350 0.024 0.000 0.267 378 T C 1.689 176.314 174.700 -0.125 0.000 1.036 378 T CA 1.885 63.864 62.100 -0.201 0.000 1.148 378 T CB -0.431 68.253 68.868 -0.306 0.000 0.863 378 T HN 0.446 nan 8.240 nan 0.000 0.436 379 F N -0.388 119.487 119.950 -0.126 0.000 2.186 379 F HA -0.072 4.464 4.527 0.015 0.000 0.299 379 F C 2.356 178.024 175.800 -0.220 0.000 1.090 379 F CA 0.750 58.657 58.000 -0.155 0.000 1.307 379 F CB -0.381 38.561 39.000 -0.096 0.000 1.019 379 F HN 0.135 nan 8.300 nan 0.000 0.489 380 Y N 1.218 121.401 120.300 -0.195 0.000 2.097 380 Y HA -0.213 4.351 4.550 0.022 0.000 0.282 380 Y C 2.434 177.984 175.900 -0.582 0.000 1.152 380 Y CA 1.594 59.395 58.100 -0.498 0.000 1.136 380 Y CB -1.016 36.840 38.460 -1.007 0.000 0.975 380 Y HN -0.018 nan 8.280 nan 0.000 0.498 381 G N 0.421 108.831 108.800 -0.650 0.000 2.459 381 G HA2 -0.268 3.707 3.960 0.024 0.000 0.217 381 G HA3 -0.268 3.707 3.960 0.024 0.000 0.217 381 G C 1.674 176.115 174.900 -0.765 0.000 1.183 381 G CA 1.385 45.675 45.100 -1.349 0.000 0.776 381 G HN 0.466 nan 8.290 nan 0.000 0.552 382 L N 0.170 121.194 121.223 -0.330 0.000 2.131 382 L HA -0.046 4.308 4.340 0.024 0.000 0.210 382 L C 2.839 179.666 176.870 -0.070 0.000 1.092 382 L CA 1.047 55.838 54.840 -0.083 0.000 0.759 382 L CB -0.397 41.537 42.059 -0.208 0.000 0.903 382 L HN 0.302 nan 8.230 nan 0.000 0.435 383 E N -0.365 119.706 120.200 -0.214 0.000 2.204 383 E HA -0.202 4.162 4.350 0.024 0.000 0.194 383 E C 2.228 178.713 176.600 -0.192 0.000 0.989 383 E CA 0.665 56.951 56.400 -0.189 0.000 0.824 383 E CB 0.044 29.606 29.700 -0.231 0.000 0.756 383 E HN 0.487 nan 8.360 nan 0.000 0.477 384 Q N -0.113 119.485 119.800 -0.337 0.000 2.084 384 Q HA -0.162 4.192 4.340 0.024 0.000 0.202 384 Q C 1.926 177.903 176.000 -0.040 0.000 0.978 384 Q CA 1.422 57.145 55.803 -0.132 0.000 0.844 384 Q CB -0.699 27.924 28.738 -0.193 0.000 0.898 384 Q HN 0.539 nan 8.270 nan 0.000 0.426 385 Y N 1.263 121.571 120.300 0.014 0.000 2.224 385 Y HA -0.169 4.395 4.550 0.024 0.000 0.289 385 Y C 2.264 178.167 175.900 0.005 0.000 1.146 385 Y CA 1.078 59.193 58.100 0.025 0.000 1.182 385 Y CB -0.011 38.465 38.460 0.026 0.000 0.983 385 Y HN 0.249 nan 8.280 nan 0.000 0.524 386 E N -0.129 120.142 120.200 0.119 0.000 2.107 386 E HA -0.139 4.225 4.350 0.024 0.000 0.191 386 E C 1.865 178.439 176.600 -0.042 0.000 0.982 386 E CA 0.899 57.316 56.400 0.027 0.000 0.809 386 E CB -0.006 29.706 29.700 0.020 0.000 0.756 386 E HN 0.473 nan 8.360 nan 0.000 0.459 387 E N -0.104 120.039 120.200 -0.095 0.000 2.299 387 E HA -0.048 4.317 4.350 0.024 0.000 0.193 387 E C -0.202 176.142 176.600 -0.428 0.000 0.998 387 E CA 0.646 56.871 56.400 -0.291 0.000 0.851 387 E CB 0.320 29.763 29.700 -0.428 0.000 0.795 387 E HN 0.305 nan 8.360 nan 0.000 0.492 388 Y N -0.129 120.186 120.300 0.026 0.000 2.646 388 Y HA 0.243 4.807 4.550 0.023 0.000 0.334 388 Y C -1.845 174.077 175.900 0.037 0.000 1.004 388 Y CA -2.399 55.733 58.100 0.053 0.000 1.301 388 Y CB 1.595 40.121 38.460 0.109 0.000 1.093 388 Y HN -0.075 nan 8.280 nan 0.000 0.530 389 P HA -0.261 nan 4.420 nan 0.000 0.216 389 P C 1.477 178.808 177.300 0.053 0.000 1.150 389 P CA 2.188 65.319 63.100 0.051 0.000 0.843 389 P CB 0.409 32.101 31.700 -0.012 0.000 0.787 390 A N -0.784 122.082 122.820 0.076 0.000 1.940 390 A HA -0.195 4.139 4.320 0.024 0.000 0.219 390 A C 2.132 179.852 177.584 0.228 0.000 1.176 390 A CA 1.497 53.586 52.037 0.086 0.000 0.631 390 A CB -1.634 17.512 19.000 0.242 0.000 0.814 390 A HN 0.174 nan 8.150 nan 0.000 0.446 391 L N -0.936 120.400 121.223 0.188 0.000 2.046 391 L HA -0.102 4.253 4.340 0.024 0.000 0.208 391 L C 2.226 179.251 176.870 0.259 0.000 1.077 391 L CA 1.900 56.801 54.840 0.102 0.000 0.747 391 L CB -0.487 41.471 42.059 -0.169 0.000 0.896 391 L HN 0.347 nan 8.230 nan 0.000 0.432 392 L N -0.311 121.082 121.223 0.284 0.000 2.093 392 L HA -0.185 4.169 4.340 0.024 0.000 0.208 392 L C 2.441 179.408 176.870 0.162 0.000 1.085 392 L CA 2.070 57.048 54.840 0.229 0.000 0.755 392 L CB -0.696 41.444 42.059 0.135 0.000 0.904 392 L HN 0.575 nan 8.230 nan 0.000 0.435 393 E N -1.363 118.936 120.200 0.165 0.000 2.230 393 E HA -0.206 4.159 4.350 0.024 0.000 0.192 393 E C 1.723 178.528 176.600 0.341 0.000 0.987 393 E CA 0.751 57.264 56.400 0.188 0.000 0.841 393 E CB -0.035 29.695 29.700 0.050 0.000 0.783 393 E HN 0.566 nan 8.360 nan 0.000 0.481 394 D N 0.975 121.585 120.400 0.350 0.000 2.077 394 D HA -0.165 4.489 4.640 0.024 0.000 0.193 394 D C 0.416 176.903 176.300 0.312 0.000 0.989 394 D CA 1.180 55.393 54.000 0.355 0.000 0.831 394 D CB -0.018 40.944 40.800 0.271 0.000 0.979 394 D HN 0.161 nan 8.370 nan 0.000 0.449 395 Q N 0.499 120.414 119.800 0.191 0.000 2.844 395 Q HA 0.153 4.507 4.340 0.024 0.000 0.235 395 Q C 0.319 176.259 176.000 -0.100 0.000 1.336 395 Q CA -0.386 55.415 55.803 -0.002 0.000 1.026 395 Q CB -0.081 28.691 28.738 0.057 0.000 1.513 395 Q HN 0.472 nan 8.270 nan 0.000 0.577 396 F N -1.043 118.915 119.950 0.014 0.000 2.456 396 F HA 0.231 4.773 4.527 0.024 0.000 0.298 396 F C 1.073 176.839 175.800 -0.056 0.000 1.104 396 F CA -0.550 57.438 58.000 -0.018 0.000 1.435 396 F CB -0.057 38.945 39.000 0.003 0.000 1.078 396 F HN 0.170 nan 8.300 nan 0.000 0.546 397 G N 0.416 108.938 108.800 -0.463 0.000 2.338 397 G HA2 0.412 4.386 3.960 0.024 0.000 0.298 397 G HA3 0.412 4.386 3.960 0.024 0.000 0.298 397 G C 0.945 175.732 174.900 -0.189 0.000 1.140 397 G CA -0.206 44.745 45.100 -0.249 0.000 0.860 397 G HN 0.349 nan 8.290 nan 0.000 0.470 398 G N 1.709 110.441 108.800 -0.115 0.000 2.418 398 G HA2 -0.113 3.861 3.960 0.024 0.000 0.217 398 G HA3 -0.113 3.861 3.960 0.024 0.000 0.217 398 G C 1.351 176.072 174.900 -0.298 0.000 1.158 398 G CA 1.094 46.092 45.100 -0.170 0.000 0.771 398 G HN 0.683 nan 8.290 nan 0.000 0.545 402 A N 1.754 124.512 122.820 -0.103 0.000 1.877 402 A HA 0.008 4.342 4.320 0.024 0.000 0.216 402 A C 2.240 179.667 177.584 -0.262 0.000 1.186 402 A CA 2.115 54.002 52.037 -0.250 0.000 0.620 402 A CB -0.552 18.046 19.000 -0.670 0.000 0.822 402 A HN 0.369 nan 8.150 nan 0.000 0.443 403 A N -0.653 122.052 122.820 -0.191 0.000 1.877 403 A HA -0.020 4.315 4.320 0.024 0.000 0.216 403 A C 2.257 179.838 177.584 -0.005 0.000 1.186 403 A CA 1.905 53.889 52.037 -0.088 0.000 0.620 403 A CB -0.968 18.069 19.000 0.062 0.000 0.822 403 A HN 0.401 nan 8.150 nan 0.000 0.443 404 V N -0.520 119.432 119.914 0.064 0.000 2.307 404 V HA -0.200 3.935 4.120 0.024 0.000 0.245 404 V C 2.571 178.811 176.094 0.244 0.000 1.045 404 V CA 1.935 64.325 62.300 0.150 0.000 1.024 404 V CB -0.628 31.287 31.823 0.153 0.000 0.651 404 V HN 0.368 nan 8.190 nan 0.000 0.449 405 V N 0.241 120.307 119.914 0.254 0.000 2.358 405 V HA -0.183 3.952 4.120 0.024 0.000 0.246 405 V C 2.647 178.758 176.094 0.028 0.000 1.047 405 V CA 1.871 64.306 62.300 0.225 0.000 1.035 405 V CB -0.979 30.921 31.823 0.129 0.000 0.658 405 V HN 0.545 nan 8.190 nan 0.000 0.452 406 A N -0.100 122.609 122.820 -0.185 0.000 1.969 406 A HA 0.002 4.337 4.320 0.024 0.000 0.218 406 A C 2.395 179.963 177.584 -0.027 0.000 1.169 406 A CA 1.708 53.501 52.037 -0.406 0.000 0.635 406 A CB -0.591 17.657 19.000 -1.255 0.000 0.810 406 A HN 0.535 nan 8.150 nan 0.000 0.445 407 A N 0.042 122.958 122.820 0.160 0.000 1.902 407 A HA 0.167 4.502 4.320 0.024 0.000 0.217 407 A C 2.486 180.158 177.584 0.147 0.000 1.181 407 A CA 1.980 54.204 52.037 0.312 0.000 0.623 407 A CB -0.950 18.216 19.000 0.277 0.000 0.818 407 A HN 0.985 nan 8.150 nan 0.000 0.443 408 A N -0.153 122.760 122.820 0.154 0.000 1.902 408 A HA 0.182 4.516 4.320 0.024 0.000 0.217 408 A C 2.511 180.131 177.584 0.060 0.000 1.181 408 A CA 2.070 54.197 52.037 0.149 0.000 0.623 408 A CB -1.012 18.172 19.000 0.308 0.000 0.818 408 A HN 1.014 nan 8.150 nan 0.000 0.443 409 A N -0.426 122.421 122.820 0.045 0.000 1.877 409 A HA 0.137 4.472 4.320 0.024 0.000 0.216 409 A C 2.442 180.007 177.584 -0.032 0.000 1.186 409 A CA 1.974 54.005 52.037 -0.009 0.000 0.620 409 A CB -1.469 17.497 19.000 -0.056 0.000 0.822 409 A HN 0.718 nan 8.150 nan 0.000 0.443 410 G N -0.690 108.117 108.800 0.011 0.000 2.459 410 G HA2 -0.292 3.683 3.960 0.024 0.000 0.217 410 G HA3 -0.292 3.683 3.960 0.024 0.000 0.217 410 G C 1.626 176.437 174.900 -0.149 0.000 1.183 410 G CA 1.395 46.494 45.100 -0.002 0.000 0.776 410 G HN 0.536 nan 8.290 nan 0.000 0.552 411 C N 0.865 120.032 119.300 -0.221 0.000 2.413 411 C HA -0.032 4.442 4.460 0.024 0.000 0.276 411 C C 3.412 177.839 174.990 -0.938 0.000 1.236 411 C CA 1.284 59.963 59.018 -0.565 0.000 1.735 411 C CB -1.017 26.382 27.740 -0.567 0.000 2.031 411 C HN 0.416 nan 8.230 nan 0.000 0.474 412 S N 0.637 116.016 115.700 -0.535 0.000 2.382 412 S HA -0.173 4.312 4.470 0.024 0.000 0.228 412 S C 1.844 176.351 174.600 -0.156 0.000 1.027 412 S CA 1.984 60.005 58.200 -0.298 0.000 0.991 412 S CB -0.637 62.566 63.200 0.005 0.000 0.823 412 S HN 0.723 nan 8.310 nan 0.000 0.469 413 T N 2.442 116.916 114.554 -0.133 0.000 2.708 413 T HA -0.063 4.302 4.350 0.024 0.000 0.266 413 T C 2.149 176.790 174.700 -0.099 0.000 1.037 413 T CA 1.313 63.371 62.100 -0.070 0.000 1.146 413 T CB -0.501 68.341 68.868 -0.042 0.000 0.865 413 T HN 0.492 nan 8.240 nan 0.000 0.435 414 A N 0.673 123.391 122.820 -0.171 0.000 1.969 414 A HA 0.066 4.400 4.320 0.024 0.000 0.218 414 A C 1.992 179.546 177.584 -0.051 0.000 1.169 414 A CA 1.006 52.959 52.037 -0.140 0.000 0.635 414 A CB -1.032 17.860 19.000 -0.180 0.000 0.810 414 A HN 0.602 nan 8.150 nan 0.000 0.445 415 F N -0.079 119.848 119.950 -0.038 0.000 2.216 415 F HA -0.147 4.393 4.527 0.022 0.000 0.300 415 F C 2.699 178.470 175.800 -0.048 0.000 1.085 415 F CA 0.450 58.428 58.000 -0.037 0.000 1.326 415 F CB -0.062 38.929 39.000 -0.016 0.000 1.027 415 F HN 0.316 nan 8.300 nan 0.000 0.497 416 A N 0.173 123.048 122.820 0.092 0.000 1.903 416 A HA -0.112 4.223 4.320 0.024 0.000 0.213 416 A C 2.189 179.705 177.584 -0.114 0.000 1.185 416 A CA 1.692 53.704 52.037 -0.043 0.000 0.628 416 A CB -1.082 17.820 19.000 -0.162 0.000 0.830 416 A HN 0.359 nan 8.150 nan 0.000 0.446 417 T N -4.504 109.993 114.554 -0.096 0.000 3.054 417 T HA 0.354 4.718 4.350 0.024 0.000 0.259 417 T C 1.523 176.182 174.700 -0.068 0.000 1.092 417 T CA 1.250 63.291 62.100 -0.099 0.000 1.121 417 T CB -0.164 68.655 68.868 -0.081 0.000 0.912 417 T HN 1.681 nan 8.240 nan 0.000 0.489 418 G N 1.544 110.314 108.800 -0.052 0.000 2.153 418 G HA2 -0.247 3.727 3.960 0.024 0.000 0.252 418 G HA3 -0.247 3.727 3.960 0.024 0.000 0.252 418 G C -0.094 174.733 174.900 -0.123 0.000 0.994 418 G CA 0.213 45.269 45.100 -0.074 0.000 0.698 418 G HN 0.838 nan 8.290 nan 0.000 0.521 419 N N -0.557 118.080 118.700 -0.106 0.000 2.310 419 N HA 0.589 5.343 4.740 0.024 0.000 0.292 419 N C 1.012 176.467 175.510 -0.091 0.000 1.049 419 N CA 0.284 53.277 53.050 -0.096 0.000 0.849 419 N CB 1.605 40.070 38.487 -0.036 0.000 1.532 419 N HN 0.329 nan 8.380 nan 0.000 0.479 420 A N 2.720 125.478 122.820 -0.103 0.000 2.014 420 A HA -0.105 4.230 4.320 0.024 0.000 0.218 420 A C 1.761 179.292 177.584 -0.089 0.000 1.163 420 A CA 1.242 53.220 52.037 -0.098 0.000 0.652 420 A CB -0.127 18.829 19.000 -0.074 0.000 0.808 420 A HN 0.705 nan 8.150 nan 0.000 0.449 421 Q N -0.049 119.724 119.800 -0.046 0.000 2.123 421 Q HA -0.096 4.258 4.340 0.024 0.000 0.199 421 Q C 2.215 178.207 176.000 -0.013 0.000 0.966 421 Q CA 2.293 58.057 55.803 -0.064 0.000 0.845 421 Q CB -0.525 28.244 28.738 0.052 0.000 0.907 421 Q HN 0.774 nan 8.270 nan 0.000 0.439 422 T N -3.073 111.550 114.554 0.115 0.000 2.777 422 T HA -0.045 4.319 4.350 0.024 0.000 0.266 422 T C 1.917 176.641 174.700 0.040 0.000 1.040 422 T CA 0.963 63.158 62.100 0.159 0.000 1.141 422 T CB -1.059 67.884 68.868 0.126 0.000 0.868 422 T HN 0.335 nan 8.240 nan 0.000 0.444 423 G N 2.181 110.963 108.800 -0.031 0.000 2.574 423 G HA2 -0.262 3.712 3.960 0.024 0.000 0.220 423 G HA3 -0.262 3.712 3.960 0.024 0.000 0.220 423 G C 1.443 176.303 174.900 -0.067 0.000 1.173 423 G CA 1.325 46.381 45.100 -0.073 0.000 0.772 423 G HN 0.472 nan 8.290 nan 0.000 0.585 424 L N 0.816 121.967 121.223 -0.120 0.000 2.042 424 L HA -0.016 4.339 4.340 0.024 0.000 0.210 424 L C 2.947 179.788 176.870 -0.048 0.000 1.076 424 L CA 2.580 57.314 54.840 -0.177 0.000 0.749 424 L CB -0.890 41.016 42.059 -0.256 0.000 0.893 424 L HN 0.246 nan 8.230 nan 0.000 0.432 425 S N -0.661 115.044 115.700 0.008 0.000 2.370 425 S HA -0.166 4.319 4.470 0.024 0.000 0.226 425 S C 2.043 176.722 174.600 0.133 0.000 1.033 425 S CA 1.287 59.573 58.200 0.144 0.000 1.011 425 S CB -0.892 62.443 63.200 0.225 0.000 0.852 425 S HN 0.702 nan 8.310 nan 0.000 0.457 426 G N 1.313 110.157 108.800 0.072 0.000 2.476 426 G HA2 -0.276 3.699 3.960 0.024 0.000 0.218 426 G HA3 -0.276 3.699 3.960 0.024 0.000 0.218 426 G C 1.329 176.227 174.900 -0.002 0.000 1.164 426 G CA 1.048 46.166 45.100 0.029 0.000 0.768 426 G HN 0.681 nan 8.290 nan 0.000 0.560 427 W N 0.889 122.055 121.300 -0.223 0.000 2.318 427 W HA -0.175 4.499 4.660 0.024 0.000 0.313 427 W C 2.175 178.469 176.519 -0.375 0.000 1.221 427 W CA 1.632 58.787 57.345 -0.318 0.000 1.266 427 W CB -0.766 28.440 29.460 -0.423 0.000 1.150 427 W HN 0.404 nan 8.180 nan 0.000 0.496 428 Y N 0.522 120.868 120.300 0.076 0.000 2.242 428 Y HA -0.245 4.319 4.550 0.023 0.000 0.291 428 Y C 2.622 178.119 175.900 -0.672 0.000 1.137 428 Y CA 1.337 59.279 58.100 -0.263 0.000 1.181 428 Y CB -1.158 37.240 38.460 -0.104 0.000 0.989 428 Y HN -0.064 nan 8.280 nan 0.000 0.527 429 L N -0.594 120.520 121.223 -0.182 0.000 2.046 429 L HA -0.187 4.167 4.340 0.024 0.000 0.208 429 L C 2.559 179.329 176.870 -0.167 0.000 1.077 429 L CA 1.919 56.703 54.840 -0.094 0.000 0.747 429 L CB -1.182 40.897 42.059 0.034 0.000 0.896 429 L HN 0.158 nan 8.230 nan 0.000 0.432 430 S N -0.904 114.666 115.700 -0.217 0.000 2.372 430 S HA -0.255 4.230 4.470 0.024 0.000 0.227 430 S C 2.087 176.557 174.600 -0.217 0.000 1.044 430 S CA 1.970 60.033 58.200 -0.228 0.000 1.050 430 S CB -0.230 62.806 63.200 -0.273 0.000 0.901 430 S HN 0.477 nan 8.310 nan 0.000 0.447 431 M N 0.234 119.612 119.600 -0.370 0.000 2.080 431 M HA -0.100 4.395 4.480 0.024 0.000 0.260 431 M C 2.018 178.276 176.300 -0.070 0.000 1.068 431 M CA 1.573 56.699 55.300 -0.290 0.000 1.109 431 M CB -1.884 30.515 32.600 -0.336 0.000 1.342 431 M HN 0.550 nan 8.290 nan 0.000 0.405 432 Y N -0.051 120.263 120.300 0.024 0.000 2.200 432 Y HA -0.161 4.402 4.550 0.022 0.000 0.290 432 Y C 2.483 178.408 175.900 0.042 0.000 1.137 432 Y CA 0.332 58.455 58.100 0.039 0.000 1.163 432 Y CB -0.590 37.902 38.460 0.052 0.000 0.988 432 Y HN 0.117 nan 8.280 nan 0.000 0.518 433 L N -0.517 120.800 121.223 0.157 0.000 2.017 433 L HA -0.281 4.073 4.340 0.024 0.000 0.208 433 L C 2.515 179.465 176.870 0.133 0.000 1.073 433 L CA 1.902 56.815 54.840 0.121 0.000 0.745 433 L CB -0.839 41.220 42.059 -0.000 0.000 0.894 433 L HN 0.385 nan 8.230 nan 0.000 0.432 434 H N 0.426 119.473 119.070 -0.039 0.000 2.289 434 H HA -0.264 4.307 4.556 0.024 0.000 0.296 434 H C 2.482 177.778 175.328 -0.053 0.000 1.091 434 H CA 2.044 58.039 56.048 -0.088 0.000 1.274 434 H CB 0.173 29.862 29.762 -0.121 0.000 1.364 434 H HN 0.135 nan 8.280 nan 0.000 0.490 435 K N 0.031 120.529 120.400 0.162 0.000 2.074 435 K HA -0.196 4.138 4.320 0.024 0.000 0.209 435 K C 1.976 178.641 176.600 0.109 0.000 1.048 435 K CA 1.953 58.300 56.287 0.099 0.000 0.926 435 K CB 0.112 32.669 32.500 0.095 0.000 0.713 435 K HN 0.361 nan 8.250 nan 0.000 0.444 436 E N 0.428 120.693 120.200 0.109 0.000 2.107 436 E HA -0.194 4.170 4.350 0.024 0.000 0.191 436 E C 1.955 178.594 176.600 0.064 0.000 0.982 436 E CA 0.967 57.417 56.400 0.083 0.000 0.809 436 E CB -0.143 29.608 29.700 0.085 0.000 0.756 436 E HN 0.505 nan 8.360 nan 0.000 0.459 437 Q N 0.090 119.910 119.800 0.033 0.000 2.084 437 Q HA -0.154 4.200 4.340 0.024 0.000 0.202 437 Q C 1.062 177.078 176.000 0.027 0.000 0.978 437 Q CA 1.562 57.331 55.803 -0.058 0.000 0.844 437 Q CB -0.034 28.576 28.738 -0.213 0.000 0.898 437 Q HN 0.470 nan 8.270 nan 0.000 0.426 438 H N -1.596 117.518 119.070 0.074 0.000 2.755 438 H HA 0.235 4.806 4.556 0.026 0.000 0.273 438 H C 0.003 175.354 175.328 0.039 0.000 1.055 438 H CA 0.142 56.217 56.048 0.045 0.000 1.191 438 H CB 1.032 30.826 29.762 0.053 0.000 1.536 438 H HN 0.172 nan 8.280 nan 0.000 0.529 439 S N 0.961 116.753 115.700 0.153 0.000 3.581 439 S HA -0.216 4.269 4.470 0.024 0.000 0.354 439 S C 0.041 174.683 174.600 0.071 0.000 1.059 439 S CA 1.043 59.296 58.200 0.088 0.000 1.060 439 S CB -0.960 62.276 63.200 0.061 0.000 0.908 439 S HN 0.795 nan 8.310 nan 0.000 0.475 440 R N -1.743 118.811 120.500 0.089 0.000 2.741 440 R HA 0.758 5.112 4.340 0.024 0.000 0.276 440 R C -0.590 175.696 176.300 -0.022 0.000 1.028 440 R CA -0.890 55.228 56.100 0.030 0.000 0.865 440 R CB 0.208 30.523 30.300 0.026 0.000 1.268 440 R HN 0.256 nan 8.270 nan 0.000 0.475 441 L N -0.995 120.152 121.223 -0.128 0.000 3.912 441 L HA 0.667 5.022 4.340 0.024 0.000 0.199 441 L C 0.204 176.845 176.870 -0.381 0.000 1.172 441 L CA 1.103 55.738 54.840 -0.341 0.000 1.013 441 L CB 0.588 42.508 42.059 -0.232 0.000 1.692 441 L HN 0.899 nan 8.230 nan 0.000 0.705 442 G N -1.127 107.468 108.800 -0.341 0.000 3.212 442 G HA2 0.367 4.341 3.960 0.024 0.000 0.188 442 G HA3 0.367 4.341 3.960 0.024 0.000 0.188 442 G C -0.619 174.233 174.900 -0.080 0.000 1.254 442 G CA -0.023 44.830 45.100 -0.412 0.000 0.957 442 G HN 0.440 nan 8.290 nan 0.000 0.596 443 F N -0.878 119.093 119.950 0.035 0.000 2.408 443 F HA 0.580 5.122 4.527 0.025 0.000 0.303 443 F C 0.794 176.719 175.800 0.208 0.000 1.268 443 F CA -1.453 56.630 58.000 0.137 0.000 1.218 443 F CB 0.088 39.206 39.000 0.196 0.000 1.283 443 F HN 0.528 nan 8.300 nan 0.000 0.545 447 D N 2.799 123.159 120.400 -0.066 0.000 2.722 447 D HA 0.066 4.720 4.640 0.024 0.000 0.239 447 D C 1.573 177.878 176.300 0.008 0.000 1.249 447 D CA 0.194 54.214 54.000 0.033 0.000 0.830 447 D CB 0.145 41.049 40.800 0.175 0.000 1.025 447 D HN 0.628 nan 8.370 nan 0.000 0.486 448 L N 0.791 121.974 121.223 -0.067 0.000 1.989 448 L HA -0.280 4.074 4.340 0.024 0.000 0.211 448 L C 2.552 179.423 176.870 0.001 0.000 1.071 448 L CA 1.895 56.716 54.840 -0.032 0.000 0.749 448 L CB -0.314 41.717 42.059 -0.046 0.000 0.890 448 L HN 0.076 nan 8.230 nan 0.000 0.431 449 Q N -1.081 118.712 119.800 -0.012 0.000 2.230 449 Q HA -0.198 4.157 4.340 0.024 0.000 0.202 449 Q C 1.236 177.343 176.000 0.180 0.000 0.963 449 Q CA 1.758 57.624 55.803 0.106 0.000 0.866 449 Q CB -0.488 28.372 28.738 0.203 0.000 0.931 449 Q HN 0.601 nan 8.270 nan 0.000 0.452 450 D N 0.661 121.203 120.400 0.237 0.000 2.249 450 D HA -0.046 4.608 4.640 0.024 0.000 0.205 450 D C 0.654 177.131 176.300 0.294 0.000 0.962 450 D CA 0.500 54.733 54.000 0.387 0.000 0.860 450 D CB 0.150 41.220 40.800 0.450 0.000 0.955 450 D HN 0.148 nan 8.370 nan 0.000 0.505 454 A N 1.104 123.791 122.820 -0.221 0.000 1.883 454 A HA 0.072 4.406 4.320 0.024 0.000 0.217 454 A C 2.532 180.128 177.584 0.019 0.000 1.186 454 A CA 2.976 55.049 52.037 0.060 0.000 0.624 454 A CB -0.830 18.340 19.000 0.283 0.000 0.822 454 A HN 0.999 nan 8.150 nan 0.000 0.444 455 S N -0.271 115.426 115.700 -0.005 0.000 2.402 455 S HA -0.128 4.357 4.470 0.024 0.000 0.229 455 S C 1.603 176.196 174.600 -0.011 0.000 1.021 455 S CA 1.430 59.637 58.200 0.012 0.000 0.974 455 S CB -0.478 62.720 63.200 -0.004 0.000 0.800 455 S HN 0.605 nan 8.310 nan 0.000 0.484 456 N N 0.790 119.446 118.700 -0.073 0.000 2.398 456 N HA 0.126 4.880 4.740 0.024 0.000 0.188 456 N C 1.401 176.845 175.510 -0.111 0.000 1.122 456 N CA 0.313 53.329 53.050 -0.057 0.000 0.866 456 N CB -0.009 38.465 38.487 -0.022 0.000 0.970 456 N HN 0.237 nan 8.380 nan 0.000 0.462 457 V N -0.175 119.615 119.914 -0.206 0.000 2.295 457 V HA -0.158 3.976 4.120 0.024 0.000 0.246 457 V C 1.132 176.901 176.094 -0.542 0.000 1.049 457 V CA 1.601 63.631 62.300 -0.449 0.000 1.024 457 V CB -0.424 30.943 31.823 -0.760 0.000 0.648 457 V HN 0.203 nan 8.190 nan 0.000 0.447 458 F N -0.840 119.118 119.950 0.012 0.000 2.661 458 F HA 0.348 4.889 4.527 0.024 0.000 0.306 458 F C 1.381 177.181 175.800 -0.001 0.000 1.094 458 F CA -0.046 57.956 58.000 0.003 0.000 1.254 458 F CB 0.234 39.240 39.000 0.010 0.000 1.040 458 F HN -0.036 nan 8.300 nan 0.000 0.562 459 S N 1.271 117.030 115.700 0.099 0.000 2.566 459 S HA 0.110 4.594 4.470 0.024 0.000 0.280 459 S C 0.849 175.480 174.600 0.051 0.000 1.343 459 S CA -0.191 58.047 58.200 0.064 0.000 1.036 459 S CB 0.466 63.682 63.200 0.027 0.000 0.866 459 S HN 0.321 nan 8.310 nan 0.000 0.526 460 I N 0.723 121.316 120.570 0.038 0.000 4.081 460 I HA 0.450 4.634 4.170 0.024 0.000 0.333 460 I C 0.580 176.703 176.117 0.011 0.000 1.413 460 I CA -0.295 61.021 61.300 0.026 0.000 1.110 460 I CB -0.221 37.797 38.000 0.029 0.000 1.082 460 I HN 0.317 nan 8.210 nan 0.000 0.402 461 R N 1.296 121.798 120.500 0.003 0.000 2.615 461 R HA 0.430 4.784 4.340 0.024 0.000 0.270 461 R C 1.529 177.815 176.300 -0.023 0.000 1.081 461 R CA 0.261 56.354 56.100 -0.011 0.000 1.154 461 R CB 0.502 30.791 30.300 -0.018 0.000 1.063 461 R HN 0.280 nan 8.270 nan 0.000 0.519 462 G N 1.656 110.438 108.800 -0.030 0.000 2.681 462 G HA2 -0.352 3.622 3.960 0.024 0.000 0.220 462 G HA3 -0.352 3.622 3.960 0.024 0.000 0.220 462 G C 0.697 175.562 174.900 -0.059 0.000 1.210 462 G CA 1.613 46.690 45.100 -0.038 0.000 0.783 462 G HN 0.804 nan 8.290 nan 0.000 0.609 463 D N -0.425 119.921 120.400 -0.090 0.000 2.427 463 D HA 0.187 4.842 4.640 0.024 0.000 0.224 463 D C 1.358 177.534 176.300 -0.207 0.000 1.157 463 D CA 0.123 54.031 54.000 -0.154 0.000 0.828 463 D CB 0.218 40.908 40.800 -0.182 0.000 0.974 463 D HN 0.522 nan 8.370 nan 0.000 0.498 464 E N -0.326 119.817 120.200 -0.094 0.000 2.354 464 E HA 0.214 4.578 4.350 0.024 0.000 0.203 464 E C 1.032 177.694 176.600 0.104 0.000 0.841 464 E CA 0.055 56.437 56.400 -0.031 0.000 1.046 464 E CB 0.521 30.200 29.700 -0.034 0.000 1.040 464 E HN 0.228 nan 8.360 nan 0.000 0.504 465 G N 1.579 110.405 108.800 0.043 0.000 2.338 465 G HA2 0.589 4.563 3.960 0.024 0.000 0.298 465 G HA3 0.589 4.563 3.960 0.024 0.000 0.298 465 G C -0.723 174.183 174.900 0.010 0.000 1.140 465 G CA -0.120 44.995 45.100 0.025 0.000 0.860 465 G HN -0.006 nan 8.290 nan 0.000 0.470 466 L N 2.970 124.165 121.223 -0.047 0.000 2.902 466 L HA 0.184 4.539 4.340 0.024 0.000 0.261 466 L C -2.589 174.185 176.870 -0.161 0.000 0.928 466 L CA -1.453 53.327 54.840 -0.099 0.000 1.024 466 L CB 3.082 45.076 42.059 -0.108 0.000 1.629 466 L HN 0.391 nan 8.230 nan 0.000 0.478 467 P HA -0.053 nan 4.420 nan 0.000 0.264 467 P C 0.483 177.651 177.300 -0.219 0.000 1.179 467 P CA -0.161 62.853 63.100 -0.143 0.000 0.763 467 P CB 0.635 32.268 31.700 -0.111 0.000 0.806 468 L N 3.791 124.892 121.223 -0.204 0.000 2.083 468 L HA -0.198 4.156 4.340 0.024 0.000 0.209 468 L C 1.779 178.555 176.870 -0.158 0.000 1.083 468 L CA 2.013 56.729 54.840 -0.206 0.000 0.752 468 L CB -1.206 40.732 42.059 -0.202 0.000 0.899 468 L HN 0.283 nan 8.230 nan 0.000 0.433 469 E N -0.581 119.499 120.200 -0.200 0.000 2.171 469 E HA -0.228 4.137 4.350 0.024 0.000 0.197 469 E C 1.950 178.125 176.600 -0.709 0.000 0.997 469 E CA 1.552 57.755 56.400 -0.328 0.000 0.810 469 E CB -0.324 29.186 29.700 -0.316 0.000 0.738 469 E HN 0.382 nan 8.360 nan 0.000 0.467 470 L N 0.211 121.019 121.223 -0.692 0.000 2.375 470 L HA 0.061 4.416 4.340 0.024 0.000 0.215 470 L C 0.824 177.441 176.870 -0.421 0.000 1.108 470 L CA 0.732 55.181 54.840 -0.651 0.000 0.830 470 L CB -0.147 41.680 42.059 -0.388 0.000 0.959 470 L HN -0.067 nan 8.230 nan 0.000 0.457 471 R N -0.757 119.512 120.500 -0.385 0.000 2.801 471 R HA 0.484 4.838 4.340 0.024 0.000 0.273 471 R C 0.353 176.152 176.300 -0.836 0.000 1.080 471 R CA 0.536 56.379 56.100 -0.428 0.000 1.197 471 R CB 0.186 30.255 30.300 -0.385 0.000 1.109 471 R HN 0.210 nan 8.270 nan 0.000 0.535 472 G N -0.198 108.062 108.800 -0.900 0.000 2.578 472 G HA2 0.194 4.169 3.960 0.024 0.000 0.302 472 G HA3 0.194 4.169 3.960 0.024 0.000 0.302 472 G C -2.508 171.984 174.900 -0.681 0.000 1.243 472 G CA -0.696 43.424 45.100 -1.634 0.000 0.843 472 G HN 0.273 nan 8.290 nan 0.000 0.486 473 P HA 0.022 nan 4.420 nan 0.000 0.226 473 P C 0.991 178.289 177.300 -0.003 0.000 1.153 473 P CA 1.068 64.079 63.100 -0.150 0.000 0.777 473 P CB 0.253 31.760 31.700 -0.321 0.000 0.794 474 N N -2.037 116.601 118.700 -0.103 0.000 2.236 474 N HA -0.039 4.715 4.740 0.024 0.000 0.196 474 N C -0.133 175.320 175.510 -0.095 0.000 1.114 474 N CA -0.447 52.563 53.050 -0.066 0.000 0.859 474 N CB -0.520 37.894 38.487 -0.121 0.000 0.982 474 N HN -0.036 nan 8.380 nan 0.000 0.493 475 Y N 1.418 121.584 120.300 -0.223 0.000 2.721 475 Y HA 0.092 4.657 4.550 0.024 0.000 0.329 475 Y C -1.581 174.152 175.900 -0.278 0.000 1.211 475 Y CA -1.467 56.437 58.100 -0.327 0.000 1.512 475 Y CB 0.808 38.959 38.460 -0.514 0.000 1.249 475 Y HN 0.152 nan 8.280 nan 0.000 0.549 476 P HA -0.204 nan 4.420 nan 0.000 0.215 476 P C 0.542 177.656 177.300 -0.310 0.000 1.157 476 P CA 2.332 65.166 63.100 -0.444 0.000 0.874 476 P CB 0.162 31.586 31.700 -0.460 0.000 0.790 477 N N -1.806 116.641 118.700 -0.422 0.000 2.289 477 N HA -0.140 4.615 4.740 0.024 0.000 0.184 477 N C 1.377 177.000 175.510 0.187 0.000 1.016 477 N CA 0.656 53.650 53.050 -0.094 0.000 0.872 477 N CB -0.360 38.133 38.487 0.010 0.000 0.973 477 N HN 0.340 nan 8.380 nan 0.000 0.433 478 Y N -0.205 120.158 120.300 0.105 0.000 2.466 478 Y HA 0.291 4.855 4.550 0.024 0.000 0.272 478 Y C 2.026 177.968 175.900 0.070 0.000 1.169 478 Y CA -0.810 57.366 58.100 0.127 0.000 1.285 478 Y CB 0.330 38.974 38.460 0.307 0.000 1.078 478 Y HN 0.102 nan 8.280 nan 0.000 0.523 479 A N 0.092 123.014 122.820 0.170 0.000 2.119 479 A HA -0.086 4.248 4.320 0.024 0.000 0.217 479 A C 1.827 179.482 177.584 0.119 0.000 1.153 479 A CA 1.180 53.298 52.037 0.135 0.000 0.692 479 A CB -0.267 18.768 19.000 0.059 0.000 0.799 479 A HN 0.472 nan 8.150 nan 0.000 0.458 480 M N -1.709 117.939 119.600 0.079 0.000 2.638 480 M HA 0.195 4.689 4.480 0.024 0.000 0.256 480 M C -0.296 176.031 176.300 0.046 0.000 1.282 480 M CA 0.321 55.650 55.300 0.048 0.000 1.155 480 M CB 0.436 33.061 32.600 0.041 0.000 1.345 480 M HN 0.235 nan 8.290 nan 0.000 0.523 481 N N 0.057 118.778 118.700 0.036 0.000 2.319 481 N HA 0.469 5.223 4.740 0.024 0.000 0.305 481 N C -0.606 174.917 175.510 0.022 0.000 1.103 481 N CA -0.801 52.282 53.050 0.054 0.000 0.815 481 N CB 2.451 40.995 38.487 0.095 0.000 1.288 481 N HN -0.057 nan 8.380 nan 0.000 0.493 482 V N -0.273 119.558 119.914 -0.139 0.000 3.503 482 V HA 0.509 4.643 4.120 0.024 0.000 0.300 482 V C 1.308 177.410 176.094 0.013 0.000 1.099 482 V CA -0.028 62.127 62.300 -0.242 0.000 1.117 482 V CB -0.039 31.227 31.823 -0.927 0.000 1.122 482 V HN 0.952 nan 8.190 nan 0.000 0.476 483 G N 0.857 109.635 108.800 -0.038 0.000 2.221 483 G HA2 -0.255 3.719 3.960 0.024 0.000 0.265 483 G HA3 -0.255 3.719 3.960 0.024 0.000 0.265 483 G C 0.030 174.826 174.900 -0.174 0.000 1.041 483 G CA 1.253 46.369 45.100 0.027 0.000 0.807 483 G HN 1.407 nan 8.290 nan 0.000 0.502 484 H N -2.264 116.660 119.070 -0.244 0.000 2.636 484 H HA 0.188 4.758 4.556 0.024 0.000 0.202 484 H C 2.383 177.015 175.328 -1.161 0.000 0.870 484 H CA 0.608 56.198 56.048 -0.764 0.000 0.943 484 H CB -0.299 28.937 29.762 -0.876 0.000 1.259 484 H HN 0.326 nan 8.280 nan 0.000 0.440 485 Q N 0.681 120.193 119.800 -0.479 0.000 2.030 485 Q HA -0.118 4.237 4.340 0.024 0.000 0.204 485 Q C 2.324 178.100 176.000 -0.374 0.000 0.986 485 Q CA 1.654 57.176 55.803 -0.469 0.000 0.843 485 Q CB -0.297 28.288 28.738 -0.254 0.000 0.904 485 Q HN 0.524 nan 8.270 nan 0.000 0.420 486 G N 0.681 109.486 108.800 0.009 0.000 2.422 486 G HA2 -0.264 3.711 3.960 0.024 0.000 0.218 486 G HA3 -0.264 3.711 3.960 0.024 0.000 0.218 486 G C 1.025 175.850 174.900 -0.125 0.000 1.146 486 G CA 0.913 46.069 45.100 0.093 0.000 0.769 486 G HN 0.262 nan 8.290 nan 0.000 0.547 487 E N -0.120 119.901 120.200 -0.298 0.000 2.152 487 E HA -0.010 4.355 4.350 0.024 0.000 0.192 487 E C 1.994 178.304 176.600 -0.483 0.000 0.983 487 E CA 0.593 56.808 56.400 -0.308 0.000 0.818 487 E CB -0.384 29.162 29.700 -0.256 0.000 0.758 487 E HN 0.724 nan 8.360 nan 0.000 0.467 488 Y N 0.313 120.095 120.300 -0.864 0.000 2.242 488 Y HA -0.198 4.366 4.550 0.023 0.000 0.291 488 Y C 2.419 177.877 175.900 -0.736 0.000 1.137 488 Y CA 0.245 57.718 58.100 -1.045 0.000 1.181 488 Y CB -0.144 37.309 38.460 -1.679 0.000 0.989 488 Y HN 0.099 nan 8.280 nan 0.000 0.527 489 A N 0.552 123.093 122.820 -0.464 0.000 1.908 489 A HA -0.198 4.136 4.320 0.024 0.000 0.218 489 A C 2.469 180.042 177.584 -0.019 0.000 1.181 489 A CA 1.944 53.948 52.037 -0.054 0.000 0.627 489 A CB -1.513 17.591 19.000 0.174 0.000 0.818 489 A HN 0.495 nan 8.150 nan 0.000 0.445 490 G N -0.255 108.513 108.800 -0.053 0.000 2.422 490 G HA2 -0.155 3.819 3.960 0.024 0.000 0.218 490 G HA3 -0.155 3.819 3.960 0.024 0.000 0.218 490 G C 1.495 176.374 174.900 -0.035 0.000 1.146 490 G CA 1.077 46.171 45.100 -0.010 0.000 0.769 490 G HN 0.497 nan 8.290 nan 0.000 0.547 491 I N 1.753 122.260 120.570 -0.106 0.000 2.394 491 I HA -0.165 4.019 4.170 0.024 0.000 0.251 491 I C 3.126 179.198 176.117 -0.075 0.000 1.136 491 I CA 1.265 62.491 61.300 -0.123 0.000 1.425 491 I CB -0.121 37.776 38.000 -0.171 0.000 1.079 491 I HN 0.340 nan 8.210 nan 0.000 0.425 492 S N 0.606 116.281 115.700 -0.042 0.000 2.382 492 S HA -0.292 4.192 4.470 0.024 0.000 0.228 492 S C 2.009 176.709 174.600 0.168 0.000 1.027 492 S CA 1.461 59.696 58.200 0.057 0.000 0.991 492 S CB -0.379 62.877 63.200 0.094 0.000 0.823 492 S HN 0.424 nan 8.310 nan 0.000 0.469 493 Q N 1.828 121.711 119.800 0.138 0.000 2.172 493 Q HA 0.238 4.593 4.340 0.024 0.000 0.200 493 Q C 2.127 178.239 176.000 0.187 0.000 0.964 493 Q CA 1.572 57.486 55.803 0.185 0.000 0.855 493 Q CB -0.968 27.857 28.738 0.145 0.000 0.918 493 Q HN 0.640 nan 8.270 nan 0.000 0.444 494 A N 1.568 124.460 122.820 0.120 0.000 1.892 494 A HA -0.126 4.209 4.320 0.024 0.000 0.218 494 A C -0.376 177.347 177.584 0.232 0.000 1.188 494 A CA 1.667 53.819 52.037 0.192 0.000 0.631 494 A CB -1.789 17.125 19.000 -0.142 0.000 0.822 494 A HN 0.547 nan 8.150 nan 0.000 0.447 495 P HA -0.146 nan 4.420 nan 0.000 0.217 495 P C 0.920 178.132 177.300 -0.147 0.000 1.151 495 P CA 1.337 64.386 63.100 -0.083 0.000 0.828 495 P CB -0.383 31.154 31.700 -0.272 0.000 0.788 496 H N 0.232 119.330 119.070 0.046 0.000 2.389 496 H HA 0.055 4.626 4.556 0.026 0.000 0.299 496 H C 2.078 177.426 175.328 0.033 0.000 1.081 496 H CA 1.615 57.666 56.048 0.006 0.000 1.345 496 H CB -0.761 28.989 29.762 -0.020 0.000 1.393 496 H HN 0.119 nan 8.280 nan 0.000 0.520 497 A N 1.158 124.084 122.820 0.176 0.000 1.897 497 A HA 0.010 4.344 4.320 0.024 0.000 0.215 497 A C 2.671 180.290 177.584 0.059 0.000 1.181 497 A CA 1.431 53.545 52.037 0.127 0.000 0.620 497 A CB -0.661 18.424 19.000 0.142 0.000 0.821 497 A HN 0.408 nan 8.150 nan 0.000 0.443 498 A N -0.261 122.597 122.820 0.064 0.000 1.969 498 A HA -0.103 4.232 4.320 0.024 0.000 0.218 498 A C 2.184 179.771 177.584 0.005 0.000 1.169 498 A CA 1.397 53.426 52.037 -0.013 0.000 0.635 498 A CB -0.375 18.662 19.000 0.061 0.000 0.810 498 A HN 0.526 nan 8.150 nan 0.000 0.445 499 R N -1.628 118.883 120.500 0.018 0.000 2.189 499 R HA 0.130 4.484 4.340 0.024 0.000 0.218 499 R C 1.370 177.684 176.300 0.024 0.000 1.074 499 R CA 0.672 56.778 56.100 0.010 0.000 0.991 499 R CB -0.141 30.155 30.300 -0.005 0.000 0.883 499 R HN 0.713 nan 8.270 nan 0.000 0.457 500 G N 1.245 110.071 108.800 0.044 0.000 2.132 500 G HA2 -0.209 3.765 3.960 0.024 0.000 0.234 500 G HA3 -0.209 3.765 3.960 0.024 0.000 0.234 500 G C -0.663 174.261 174.900 0.040 0.000 0.989 500 G CA -0.050 45.083 45.100 0.055 0.000 0.676 500 G HN 0.245 nan 8.290 nan 0.000 0.522 501 D N 0.086 120.506 120.400 0.034 0.000 2.455 501 D HA 0.470 5.125 4.640 0.024 0.000 0.241 501 D C 1.513 177.800 176.300 -0.021 0.000 1.138 501 D CA 0.589 54.571 54.000 -0.030 0.000 0.877 501 D CB 1.167 41.941 40.800 -0.044 0.000 1.187 501 D HN 0.388 nan 8.370 nan 0.000 0.451 502 A N 2.588 125.385 122.820 -0.039 0.000 2.015 502 A HA 0.048 4.382 4.320 0.024 0.000 0.219 502 A C 0.506 178.188 177.584 0.162 0.000 1.163 502 A CA 1.000 53.083 52.037 0.076 0.000 0.646 502 A CB -0.425 18.622 19.000 0.078 0.000 0.806 502 A HN 0.559 nan 8.150 nan 0.000 0.448 503 F N -6.226 113.697 119.950 -0.045 0.000 2.686 503 F HA 0.607 5.149 4.527 0.025 0.000 0.311 503 F C 0.152 175.848 175.800 -0.174 0.000 1.128 503 F CA -0.982 56.973 58.000 -0.075 0.000 0.946 503 F CB 0.811 39.741 39.000 -0.117 0.000 1.336 503 F HN -0.274 nan 8.300 nan 0.000 0.457 504 V N 0.157 120.008 119.914 -0.104 0.000 2.672 504 V HA 0.052 4.187 4.120 0.024 0.000 0.242 504 V C 0.536 176.593 176.094 -0.062 0.000 1.059 504 V CA 1.616 63.665 62.300 -0.418 0.000 1.081 504 V CB 0.231 32.024 31.823 -0.050 0.000 0.752 504 V HN 0.870 nan 8.190 nan 0.000 0.472 505 F N -0.717 119.340 119.950 0.178 0.000 2.828 505 F HA 0.458 5.000 4.527 0.025 0.000 0.368 505 F C 0.027 175.968 175.800 0.236 0.000 0.877 505 F CA -0.157 57.971 58.000 0.214 0.000 1.071 505 F CB 0.733 39.849 39.000 0.193 0.000 1.006 505 F HN 0.122 nan 8.300 nan 0.000 0.598 506 N N 1.774 120.483 118.700 0.014 0.000 2.572 506 N HA 0.281 5.035 4.740 0.024 0.000 0.287 506 N C -2.593 172.553 175.510 -0.607 0.000 1.136 506 N CA -1.397 51.373 53.050 -0.467 0.000 0.900 506 N CB 2.285 40.356 38.487 -0.694 0.000 1.484 506 N HN -0.127 nan 8.380 nan 0.000 0.526 507 P HA -0.014 nan 4.420 nan 0.000 0.223 507 P C 1.526 178.443 177.300 -0.638 0.000 1.151 507 P CA 0.546 63.017 63.100 -1.048 0.000 0.787 507 P CB 0.808 31.688 31.700 -1.368 0.000 0.788 508 L N -0.815 120.060 121.223 -0.580 0.000 2.056 508 L HA -0.099 4.256 4.340 0.024 0.000 0.207 508 L C 2.658 179.322 176.870 -0.343 0.000 1.078 508 L CA 1.150 55.736 54.840 -0.424 0.000 0.749 508 L CB -1.227 40.511 42.059 -0.536 0.000 0.901 508 L HN -0.169 nan 8.230 nan 0.000 0.433 509 V N 0.266 119.947 119.914 -0.387 0.000 2.332 509 V HA -0.293 3.841 4.120 0.024 0.000 0.248 509 V C 2.611 178.646 176.094 -0.098 0.000 1.055 509 V CA 1.958 64.102 62.300 -0.259 0.000 1.038 509 V CB -0.564 30.959 31.823 -0.500 0.000 0.651 509 V HN 0.381 nan 8.190 nan 0.000 0.450 510 K N 0.862 121.171 120.400 -0.151 0.000 2.009 510 K HA -0.164 4.170 4.320 0.024 0.000 0.210 510 K C 1.785 178.411 176.600 0.044 0.000 1.049 510 K CA 1.981 58.259 56.287 -0.015 0.000 0.929 510 K CB -0.706 31.777 32.500 -0.027 0.000 0.714 510 K HN 0.459 nan 8.250 nan 0.000 0.440 511 I N 0.421 120.859 120.570 -0.219 0.000 2.315 511 I HA -0.193 3.991 4.170 0.024 0.000 0.248 511 I C 2.190 178.142 176.117 -0.276 0.000 1.117 511 I CA 1.115 62.225 61.300 -0.316 0.000 1.404 511 I CB -0.348 37.021 38.000 -1.052 0.000 1.071 511 I HN 0.247 nan 8.210 nan 0.000 0.419 512 A N 0.137 122.800 122.820 -0.263 0.000 2.070 512 A HA -0.132 4.203 4.320 0.024 0.000 0.220 512 A C 1.732 179.121 177.584 -0.325 0.000 1.159 512 A CA 1.468 53.398 52.037 -0.179 0.000 0.656 512 A CB -0.675 18.251 19.000 -0.125 0.000 0.800 512 A HN 0.434 nan 8.150 nan 0.000 0.453 513 F N -1.122 118.763 119.950 -0.108 0.000 2.653 513 F HA 0.394 4.935 4.527 0.025 0.000 0.304 513 F C 1.564 177.349 175.800 -0.025 0.000 1.092 513 F CA 0.158 58.085 58.000 -0.122 0.000 1.279 513 F CB 0.406 39.209 39.000 -0.327 0.000 1.044 513 F HN 0.158 nan 8.300 nan 0.000 0.564 514 A N 0.318 123.190 122.820 0.087 0.000 3.117 514 A HA 0.209 4.544 4.320 0.024 0.000 0.255 514 A C -0.399 177.196 177.584 0.019 0.000 1.583 514 A CA 0.077 52.122 52.037 0.013 0.000 1.234 514 A CB -0.816 18.139 19.000 -0.076 0.000 1.076 514 A HN 0.126 nan 8.150 nan 0.000 0.653 515 D N -0.323 120.117 120.400 0.065 0.000 2.549 515 D HA 0.260 4.915 4.640 0.024 0.000 0.251 515 D C -0.192 176.165 176.300 0.095 0.000 1.153 515 D CA -0.450 53.596 54.000 0.076 0.000 0.861 515 D CB 1.230 42.086 40.800 0.092 0.000 1.207 515 D HN 0.119 nan 8.370 nan 0.000 0.543 516 D N 2.545 122.973 120.400 0.047 0.000 2.371 516 D HA -0.072 4.582 4.640 0.024 0.000 0.221 516 D C 0.717 177.035 176.300 0.030 0.000 0.986 516 D CA 0.512 54.533 54.000 0.036 0.000 0.899 516 D CB 0.069 40.867 40.800 -0.004 0.000 0.902 516 D HN 0.443 nan 8.370 nan 0.000 0.530 517 N N -0.345 118.363 118.700 0.014 0.000 2.461 517 N HA 0.083 4.837 4.740 0.024 0.000 0.188 517 N C 0.341 175.958 175.510 0.178 0.000 1.134 517 N CA -0.028 53.001 53.050 -0.036 0.000 0.878 517 N CB 0.402 38.630 38.487 -0.431 0.000 0.972 517 N HN 0.124 nan 8.380 nan 0.000 0.456 518 L N -0.075 121.295 121.223 0.245 0.000 2.464 518 L HA 0.041 4.395 4.340 0.024 0.000 0.264 518 L C 1.429 178.461 176.870 0.269 0.000 1.199 518 L CA -0.322 54.712 54.840 0.323 0.000 0.818 518 L CB 0.885 43.199 42.059 0.426 0.000 1.102 518 L HN -0.034 nan 8.230 nan 0.000 0.473 519 V N 1.245 121.338 119.914 0.299 0.000 2.379 519 V HA -0.140 3.994 4.120 0.024 0.000 0.243 519 V C 0.623 176.896 176.094 0.298 0.000 1.035 519 V CA 0.706 63.144 62.300 0.230 0.000 1.035 519 V CB -0.294 31.677 31.823 0.246 0.000 0.673 519 V HN 0.486 nan 8.190 nan 0.000 0.457 520 F N 1.870 121.990 119.950 0.283 0.000 2.443 520 F HA 0.259 4.800 4.527 0.024 0.000 0.353 520 F C 0.411 176.206 175.800 -0.009 0.000 1.101 520 F CA -0.569 57.517 58.000 0.143 0.000 1.226 520 F CB 0.544 39.454 39.000 -0.149 0.000 1.140 520 F HN 0.040 nan 8.300 nan 0.000 0.557 521 D N 6.092 126.195 120.400 -0.495 0.000 2.453 521 D HA 0.043 4.697 4.640 0.024 0.000 0.223 521 D C 0.567 176.744 176.300 -0.204 0.000 1.183 521 D CA 0.045 53.904 54.000 -0.236 0.000 0.933 521 D CB -0.170 40.489 40.800 -0.235 0.000 1.038 521 D HN 0.477 nan 8.370 nan 0.000 0.513 522 F N 0.896 121.002 119.950 0.261 0.000 2.641 522 F HA -0.096 4.445 4.527 0.024 0.000 0.298 522 F C 2.618 178.490 175.800 0.120 0.000 1.146 522 F CA 0.951 59.126 58.000 0.291 0.000 1.464 522 F CB -0.129 39.038 39.000 0.278 0.000 1.101 522 F HN 0.366 nan 8.300 nan 0.000 0.585 523 T N -3.256 111.399 114.554 0.168 0.000 3.085 523 T HA -0.060 4.304 4.350 0.024 0.000 0.263 523 T C 0.941 175.647 174.700 0.010 0.000 1.127 523 T CA 0.789 62.936 62.100 0.079 0.000 1.103 523 T CB -0.204 68.684 68.868 0.035 0.000 0.921 523 T HN 0.125 nan 8.240 nan 0.000 0.510 524 N N 0.427 119.092 118.700 -0.058 0.000 2.673 524 N HA 0.242 4.996 4.740 0.024 0.000 0.265 524 N C 0.679 176.052 175.510 -0.228 0.000 1.709 524 N CA -0.221 52.760 53.050 -0.116 0.000 0.792 524 N CB 0.518 38.941 38.487 -0.108 0.000 1.286 524 N HN 0.036 nan 8.380 nan 0.000 0.506 525 V N 1.246 121.037 119.914 -0.204 0.000 2.282 525 V HA -0.249 3.886 4.120 0.024 0.000 0.249 525 V C 2.269 177.923 176.094 -0.733 0.000 1.057 525 V CA 1.907 63.988 62.300 -0.365 0.000 1.032 525 V CB -0.227 31.410 31.823 -0.310 0.000 0.645 525 V HN 0.498 nan 8.190 nan 0.000 0.447 526 R N -0.215 119.996 120.500 -0.482 0.000 2.090 526 R HA -0.021 4.333 4.340 0.024 0.000 0.228 526 R C 2.512 178.698 176.300 -0.189 0.000 1.110 526 R CA 1.123 57.004 56.100 -0.365 0.000 0.973 526 R CB -0.806 29.420 30.300 -0.123 0.000 0.869 526 R HN 0.592 nan 8.270 nan 0.000 0.440 527 G N 1.614 110.318 108.800 -0.160 0.000 2.476 527 G HA2 -0.286 3.689 3.960 0.024 0.000 0.218 527 G HA3 -0.286 3.689 3.960 0.024 0.000 0.218 527 G C 1.208 176.043 174.900 -0.108 0.000 1.164 527 G CA 0.733 45.771 45.100 -0.103 0.000 0.768 527 G HN 0.235 nan 8.290 nan 0.000 0.560 528 E N 0.321 120.377 120.200 -0.239 0.000 2.072 528 E HA -0.071 4.293 4.350 0.024 0.000 0.191 528 E C 2.332 178.949 176.600 0.028 0.000 0.985 528 E CA 0.558 56.815 56.400 -0.238 0.000 0.801 528 E CB -0.381 28.818 29.700 -0.835 0.000 0.750 528 E HN 0.435 nan 8.360 nan 0.000 0.452 529 F N 1.214 121.125 119.950 -0.066 0.000 2.126 529 F HA -0.121 4.420 4.527 0.024 0.000 0.299 529 F C 2.506 178.306 175.800 0.001 0.000 1.096 529 F CA 0.660 58.633 58.000 -0.046 0.000 1.255 529 F CB -1.478 37.444 39.000 -0.129 0.000 0.997 529 F HN -0.019 nan 8.300 nan 0.000 0.479 530 A N 0.016 122.952 122.820 0.192 0.000 1.858 530 A HA -0.250 4.084 4.320 0.024 0.000 0.216 530 A C 2.340 179.995 177.584 0.119 0.000 1.190 530 A CA 1.941 54.058 52.037 0.134 0.000 0.617 530 A CB -0.878 18.171 19.000 0.082 0.000 0.827 530 A HN 0.340 nan 8.150 nan 0.000 0.443 531 K N -0.639 119.825 120.400 0.107 0.000 2.074 531 K HA -0.164 4.170 4.320 0.024 0.000 0.209 531 K C 1.944 178.651 176.600 0.178 0.000 1.048 531 K CA 1.784 58.152 56.287 0.135 0.000 0.926 531 K CB -0.592 31.996 32.500 0.145 0.000 0.713 531 K HN 0.390 nan 8.250 nan 0.000 0.444 532 G N -0.095 108.807 108.800 0.169 0.000 2.422 532 G HA2 -0.187 3.788 3.960 0.024 0.000 0.218 532 G HA3 -0.187 3.788 3.960 0.024 0.000 0.218 532 G C 1.545 176.521 174.900 0.126 0.000 1.140 532 G CA 0.723 45.908 45.100 0.141 0.000 0.775 532 G HN 0.446 nan 8.290 nan 0.000 0.545 533 A N 0.633 123.530 122.820 0.128 0.000 1.930 533 A HA 0.159 4.493 4.320 0.024 0.000 0.217 533 A C 2.204 179.856 177.584 0.113 0.000 1.175 533 A CA 0.827 52.938 52.037 0.122 0.000 0.627 533 A CB -0.305 18.777 19.000 0.136 0.000 0.815 533 A HN 0.344 nan 8.150 nan 0.000 0.443 534 L N -1.533 119.757 121.223 0.111 0.000 2.610 534 L HA 0.060 4.414 4.340 0.024 0.000 0.232 534 L C 0.552 177.479 176.870 0.094 0.000 1.149 534 L CA 0.134 55.032 54.840 0.096 0.000 0.872 534 L CB -0.271 41.841 42.059 0.089 0.000 0.992 534 L HN 0.404 nan 8.230 nan 0.000 0.447 535 R N -0.099 120.467 120.500 0.110 0.000 3.651 535 R HA -0.206 4.149 4.340 0.024 0.000 0.292 535 R C 0.432 176.798 176.300 0.110 0.000 1.161 535 R CA 0.714 56.880 56.100 0.110 0.000 0.787 535 R CB -1.899 28.452 30.300 0.085 0.000 1.249 535 R HN 0.493 nan 8.270 nan 0.000 0.476 536 E N -0.387 119.890 120.200 0.129 0.000 2.498 536 E HA 0.099 4.463 4.350 0.024 0.000 0.203 536 E C -0.194 176.482 176.600 0.127 0.000 1.013 536 E CA -0.185 56.278 56.400 0.104 0.000 0.927 536 E CB 0.365 30.114 29.700 0.081 0.000 1.012 536 E HN 0.217 nan 8.360 nan 0.000 0.482 537 F N 2.142 122.113 119.950 0.035 0.000 2.404 537 F HA 0.218 4.759 4.527 0.024 0.000 0.339 537 F C -0.095 175.729 175.800 0.040 0.000 1.105 537 F CA -0.572 57.447 58.000 0.032 0.000 1.087 537 F CB 0.877 39.909 39.000 0.055 0.000 1.143 537 F HN -0.253 nan 8.300 nan 0.000 0.491 538 E N 7.970 127.941 120.200 -0.382 0.000 2.073 538 E HA 0.255 4.619 4.350 0.024 0.000 0.269 538 E C -2.342 174.174 176.600 -0.141 0.000 0.917 538 E CA -1.961 54.343 56.400 -0.160 0.000 0.757 538 E CB 0.945 30.535 29.700 -0.184 0.000 1.111 538 E HN 0.382 nan 8.360 nan 0.000 0.410 539 P HA 0.210 nan 4.420 nan 0.000 0.278 539 P C -0.655 176.725 177.300 0.134 0.000 1.258 539 P CA -0.433 62.845 63.100 0.297 0.000 0.811 539 P CB 1.039 32.937 31.700 0.329 0.000 1.063 540 A N -0.108 122.797 122.820 0.143 0.000 2.259 540 A HA 0.570 4.905 4.320 0.024 0.000 0.278 540 A C 1.228 178.854 177.584 0.070 0.000 1.107 540 A CA 0.201 52.288 52.037 0.083 0.000 0.828 540 A CB -0.914 18.135 19.000 0.082 0.000 1.111 540 A HN 0.865 nan 8.150 nan 0.000 0.498 541 G N -1.082 107.739 108.800 0.035 0.000 2.176 541 G HA2 -0.166 3.808 3.960 0.024 0.000 0.253 541 G HA3 -0.166 3.808 3.960 0.024 0.000 0.253 541 G C 0.077 174.989 174.900 0.019 0.000 0.979 541 G CA 0.364 45.475 45.100 0.019 0.000 0.641 541 G HN 0.750 nan 8.290 nan 0.000 0.530 542 E N -0.445 119.768 120.200 0.022 0.000 2.392 542 E HA 0.488 4.852 4.350 0.024 0.000 0.259 542 E C 1.015 177.612 176.600 -0.005 0.000 1.108 542 E CA -0.271 56.138 56.400 0.015 0.000 0.916 542 E CB 0.544 30.256 29.700 0.019 0.000 0.989 542 E HN 0.261 nan 8.360 nan 0.000 0.432 543 R N 0.357 120.854 120.500 -0.005 0.000 2.546 543 R HA 0.199 4.554 4.340 0.024 0.000 0.320 543 R C 1.336 177.622 176.300 -0.023 0.000 1.021 543 R CA 0.362 56.453 56.100 -0.016 0.000 1.088 543 R CB 0.127 30.425 30.300 -0.004 0.000 1.278 543 R HN 0.532 nan 8.270 nan 0.000 0.557 544 A N 0.550 123.357 122.820 -0.022 0.000 1.933 544 A HA -0.171 4.164 4.320 0.024 0.000 0.218 544 A C 1.799 179.363 177.584 -0.034 0.000 1.175 544 A CA 1.158 53.183 52.037 -0.021 0.000 0.628 544 A CB -0.316 18.675 19.000 -0.015 0.000 0.814 544 A HN 0.327 nan 8.150 nan 0.000 0.444 545 L N 0.209 121.394 121.223 -0.063 0.000 2.127 545 L HA -0.102 4.253 4.340 0.024 0.000 0.211 545 L C 1.758 178.589 176.870 -0.066 0.000 1.089 545 L CA 2.123 56.908 54.840 -0.092 0.000 0.757 545 L CB -0.341 41.597 42.059 -0.202 0.000 0.899 545 L HN 0.616 nan 8.230 nan 0.000 0.434 546 I N -3.792 116.749 120.570 -0.047 0.000 3.927 546 I HA 0.293 4.478 4.170 0.024 0.000 0.332 546 I C 0.226 176.342 176.117 -0.002 0.000 1.485 546 I CA -0.012 61.279 61.300 -0.015 0.000 1.131 546 I CB -0.500 37.497 38.000 -0.005 0.000 1.092 546 I HN 0.146 nan 8.210 nan 0.000 0.410 547 T N -1.838 112.712 114.554 -0.006 0.000 2.940 547 T HA 0.671 5.036 4.350 0.024 0.000 0.288 547 T C -2.553 172.147 174.700 0.002 0.000 1.045 547 T CA -1.676 60.424 62.100 0.000 0.000 1.018 547 T CB 1.255 70.122 68.868 -0.001 0.000 1.151 547 T HN -0.129 nan 8.240 nan 0.000 0.529 548 P HA 0.409 nan 4.420 nan 0.000 0.269 548 P C -0.063 177.238 177.300 0.002 0.000 1.217 548 P CA -0.412 62.691 63.100 0.004 0.000 0.783 548 P CB -0.131 31.572 31.700 0.005 0.000 0.898 549 A N 0.000 122.822 122.820 0.003 0.000 2.254 549 A HA 0.000 4.334 4.320 0.024 0.000 0.244 549 A CA 0.000 52.039 52.037 0.003 0.000 0.836 549 A CB 0.000 19.002 19.000 0.004 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486